data_1mke_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 1mke _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 ' 2' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.477 ' CE ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.458 ' HE2' ' CA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CB ' HD11 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' NH1' ' CB ' ' A' ' 79' ' ' PHE . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.546 HD11 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CB ' HD11 ' A' ' 91' ' ' LEU . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 84' ' ' ASP . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.408 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.679 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 113' ' ' ALA . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.683 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.683 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.477 HD11 ' CE ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 45.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.464 ' CE ' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.555 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 84' ' ' ASP . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.518 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.575 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CE1' HG21 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.546 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 140' ' ' LEU . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.516 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.497 ' CE1' ' CB ' ' A' ' 61' ' ' LYS . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.597 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 139' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 84' ' ' ASP . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 102' ' ' TYR . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.449 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.562 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 140' ' ' LEU . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.603 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.433 ' CB ' HD11 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.609 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' CB ' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 95' ' ' GLU . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE1' HD22 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 140' ' ' LEU . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.435 ' HE1' ' CB ' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 92' ' ' TRP . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.494 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CB ' ' CE2' ' A' ' 79' ' ' PHE . 17.7 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' C ' ' CG ' ' A' ' 81' ' ' ARG . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 93' ' ' GLU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.531 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 84' ' ' ASP . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 81' ' ' ARG . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.8 mm100 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.548 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.548 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 114' ' ' GLY . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.557 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.572 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.492 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.435 ' CB ' ' HE1' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.455 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' CG1' ' CB ' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' CG1' ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.503 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 43' ' ' MET . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 70' ' ' VAL . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.523 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.622 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CZ ' ' CZ2' ' A' ' 92' ' ' TRP . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.44 ' CG ' ' N ' ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 114' ' ' GLY . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.465 HG21 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.636 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.525 ' CB ' ' CG1' ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.503 ' CE1' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.525 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 100' ' ' PHE . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.454 ' CE2' HD22 ' A' ' 96' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 102' ' ' TYR . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.422 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.577 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.608 HD21 ' N ' ' A' ' 122' ' ' ASN . 1.0 OUTLIER -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.557 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' HD23 ' A' ' 69' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' CG1' ' CB ' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG12 ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 HD11 ' NE1' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.595 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' CE ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 139' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 100' ' ' PHE . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 96' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.591 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.526 ' CB ' ' CG1' ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.555 ' CD2' ' CE1' ' A' ' 123' ' ' PHE . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' CG2' ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 HD11 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 64' ' ' SER . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 109' ' ' PHE . 48.2 t-20 -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 123' ' ' PHE . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 141' ' ' GLY . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.449 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.429 ' OG ' ' NZ ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 123' ' ' PHE . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CB ' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.575 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' CB ' HD13 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.617 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' OE1' ' CD1' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 100' ' ' PHE . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.519 ' CZ ' ' OD1' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.423 ' CA ' HG23 ' A' ' 119' ' ' VAL . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 12.0 t30 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.582 ' CD1' HG11 ' A' ' 48' ' ' VAL . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.429 ' NZ ' ' OG ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 2' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 2.6 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.432 ' OG1' ' CG2' ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.591 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.552 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 71' ' ' LYS . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' GLN . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.433 HD11 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' CB ' HD11 ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 84' ' ' ASP . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 21.2 tp60 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.526 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.515 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.572 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 130' ' ' LYS . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.506 ' CG ' ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 133' ' ' ARG . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' CG1' ' A' ' 48' ' ' VAL . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.504 ' CB ' HG13 ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CE1' ' HD2' ' A' ' 71' ' ' LYS . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.504 HG13 ' CB ' ' A' ' 67' ' ' ALA . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 100' ' ' PHE . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 96' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.411 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.684 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.684 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 2' ' ' LEU . 4.5 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.582 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 72.0 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HD11 ' A' ' 139' ' ' LEU . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 131' ' ' LYS . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' HE3' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' CD ' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.508 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 96' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.479 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.404 ' NZ ' ' OG ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.522 ' CG ' ' CE2' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.457 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 17.2 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.411 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.413 ' CZ ' HD13 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.602 HD11 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.524 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 ' CZ ' ' A' ' 81' ' ' ARG . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.617 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.434 ' CA ' HG23 ' A' ' 119' ' ' VAL . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.556 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.462 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' GLY . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 5.6 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG11 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.564 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.457 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 100' ' ' PHE . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 96' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.548 ' CD1' HG11 ' A' ' 48' ' ' VAL . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.429 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 84.1 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 42' ' ' THR . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.411 ' N ' HG11 ' A' ' 41' ' ' VAL . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.602 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.599 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.448 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.525 HD11 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.577 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 122' ' ' ASN . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.594 ' N ' ' CD1' ' A' ' 112' ' ' PHE . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' CG2' ' CG ' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.551 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' CG ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 139' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.501 HD11 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.672 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HG ' ' CG ' ' A' ' 84' ' ' ASP . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.603 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' GLU . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.44 ' O ' ' CD2' ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.551 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.428 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 140' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.586 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CB ' HD13 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' GLU . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 99' ' ' ASN . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.513 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.456 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.609 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.494 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.474 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 71' ' ' LYS . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 70' ' ' VAL . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.473 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.495 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.47 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.592 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.602 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.594 HD22 ' CE2' ' A' ' 100' ' ' PHE . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CE2' HD22 ' A' ' 96' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.65 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 114' ' ' GLY . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.556 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.551 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 65.6 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' CD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.499 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 93' ' ' GLU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.636 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD21 ' CE2' ' A' ' 100' ' ' PHE . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.462 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.546 ' CE2' HD21 ' A' ' 96' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 102' ' ' TYR . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.458 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.512 ' CD1' HD21 ' A' ' 121' ' ' LEU . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.497 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.499 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.556 HD21 ' CE2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 123' ' ' PHE . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.554 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 71' ' ' LYS . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.579 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' GLU . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.623 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 2' ' ' LEU . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.623 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.637 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.637 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.554 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.46 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.473 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 140' ' ' LEU . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt -73.4 158.25 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.515 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 -107.56 128.44 54.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.38 145.37 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 157.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -148.59 -91.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.045 . . . . 0.0 110.371 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' N ' ' OG1' ' A' ' 11' ' ' THR . 14.4 t -151.01 141.13 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -135.4 134.87 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -164.83 126.19 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.04 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -97.42 19.51 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.31 -21.32 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . 67.81 9.89 7.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.22 156.69 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.92 102.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 65.54 141.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 67.11 74.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.08 -179.91 48.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.16 103.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 29' ' ' SER . . . 162.27 117.65 0.43 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.589 1.181 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.4 m 159.81 175.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.945 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.63 37.66 0.83 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.17 160.16 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.723 . . . . 0.0 109.998 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.59 -176.27 3.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -40.32 -82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER 170.14 -161.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -157.97 -62.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.92 103.32 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.71 90.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -151.73 122.89 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' CG ' ' C ' ' A' ' 38' ' ' LYS . 9.9 mtmt -150.28 89.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -114.98 141.91 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.477 ' CE ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' HE2' ' CA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.9 m-20 -94.25 113.36 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.611 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -79.0 -46.24 1.72 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.95 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' OE1' ' CB ' ' A' ' 17' ' ' SER . 1.6 mm-40 -76.17 -29.91 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 69.52 55.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.414 1.072 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p -156.89 164.81 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CB ' HD11 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' NH1' ' CB ' ' A' ' 79' ' ' PHE . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.546 HD11 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CB ' HD11 ' A' ' 91' ' ' LEU . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 84' ' ' ASP . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 HD11 ' CB ' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.408 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.679 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' A' ' 113' ' ' ALA . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.572 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.683 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.683 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.456 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.477 HD11 ' CE ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -41.6 99.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 144' ' ' GLN . 0.0 OUTLIER 41.01 -161.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' ARG . 6.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.28 126.15 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.546 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 45.2 t80 -101.77 129.05 47.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.21 140.04 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.61 163.06 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.77 -52.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.81 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CE ' ' OH ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 61.67 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m -138.77 140.79 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' O ' ' CA ' ' A' ' 19' ' ' LEU . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -153.12 56.87 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' CA ' ' O ' ' A' ' 15' ' ' TYR . 10.6 tp -80.17 -20.69 44.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 69.61 16.14 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -163.4 91.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -108.62 -61.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.29 68.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.2 p -172.74 168.64 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -55.96 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.74 100.48 2.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 t -110.4 -62.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.734 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.52 108.37 2.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.99 84.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.8 163.88 17.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.4 -57.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.084 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -154.08 -62.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 17.1 p90 -159.78 164.15 34.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 99.56 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.9 90.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.11 55.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.0 -123.7 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 73.36 173.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 70.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p -115.34 141.55 47.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.241 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.464 ' CE ' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.545 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.5 m-20 -72.69 130.19 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.537 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.3 t-20 -81.43 -50.39 0.93 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -75.02 -44.14 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -74.28 -2.48 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' GLN . 16.7 ttm180 35.33 54.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p -152.61 150.04 29.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.058 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.524 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.555 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.467 ' CB ' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 84' ' ' ASP . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.518 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.575 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.431 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CE1' HG21 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.546 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 140' ' ' LEU . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.524 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.448 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.96 -41.91 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 38.95 43.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.2 158.71 31.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.516 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 -124.16 131.28 53.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 10' ' ' GLN . 43.7 t -113.86 142.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.066 . . . . 0.0 109.227 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' N ' HG12 ' A' ' 9' ' ' VAL . 1.6 pm0 -39.53 125.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -132.71 164.81 25.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 t -75.32 134.96 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -132.99 146.85 52.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 142.54 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -148.93 57.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -21.06 17.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 68.07 13.76 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -60.75 117.75 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 176.03 75.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.71 -61.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -46.82 -61.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -129.76 -57.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.98 -119.88 20.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.163 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.14 59.65 4.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -115.42 170.66 8.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.67 -63.42 1.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 58.73 112.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.31 166.36 16.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.397 1.06 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 53.29 91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.7 m -119.45 142.95 47.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.6 t80 45.98 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.76 116.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.06 93.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 160.95 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 67.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m -86.47 142.0 28.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG1' ' HG3' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.497 ' CE1' ' CB ' ' A' ' 61' ' ' LYS . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.597 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.48 150.16 46.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.541 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -60.76 -50.35 85.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.97 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.94 52.39 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.85 -14.36 15.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p -168.97 134.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 139' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 84' ' ' ASP . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.591 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.591 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.477 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.442 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 102' ' ' TYR . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.449 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.562 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.562 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 140' ' ' LEU . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.466 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.0 173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -76.98 177.51 2.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 -107.63 108.15 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -99.04 135.36 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.91 165.39 5.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.27 -59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -155.33 161.51 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.373 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.0 177.42 6.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -152.23 119.63 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -140.06 52.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.65 14.23 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.21 18.84 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -66.71 -57.0 8.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -150.24 102.46 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -136.12 -59.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.43 118.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -64.35 164.22 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.62 92.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.21 151.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 110.057 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.98 -152.68 12.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.19 124.19 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.66 -62.05 0.65 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.32 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.426 0.721 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.54 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -53.46 -53.55 49.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 47.79 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.33 151.2 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 114.34 1.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 126.72 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 100.61 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p -115.33 134.88 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.529 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.603 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 -102.08 120.13 39.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.602 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -81.78 -46.5 1.04 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 76' ' ' ARG . 9.5 mp0 -84.74 1.16 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' GLN . 11.3 mtt85 33.41 66.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -164.92 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.433 ' CB ' HD11 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.609 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' CB ' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 95' ' ' GLU . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE1' HD22 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 140' ' ' LEU . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -42.59 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 57.35 93.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -86.21 -178.92 1.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.514 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 -96.12 118.93 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.76 144.62 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.4 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -141.9 -70.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 11' ' ' THR . 62.2 m -155.01 -67.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' NZ ' ' OH ' ' A' ' 8' ' ' TYR . 1.9 mmmm 62.39 16.07 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -78.41 133.43 37.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 13' ' ' LYS . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -127.09 57.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.0 11.1 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.8 18.37 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -55.06 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.425 1.078 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 158.64 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.1 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.8 m 61.54 124.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.66 162.38 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.89 176.51 23.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -173.32 165.76 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.28 144.72 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.1 170.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.23 -122.35 4.1 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.19 56.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 0.819 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.93 94.5 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -168.17 107.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.26 76.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 42.83 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.81 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.81 -130.75 5.9 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 66.4 124.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.39 64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.78 142.19 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.435 ' HE1' ' CB ' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.557 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' CG ' ' A' ' 92' ' ' TRP . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.494 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ASN . 17.7 t70 -86.25 94.25 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ASP . 25.1 m-80 60.89 144.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -2.95 13.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.62 -62.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.261 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p 172.02 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' C ' ' CG ' ' A' ' 81' ' ' ARG . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 93' ' ' GLU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.531 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 84' ' ' ASP . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HG3' ' CD ' ' A' ' 81' ' ' ARG . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.8 mm100 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.548 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.548 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 114' ' ' GLY . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.557 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.572 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.492 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.435 ' CB ' ' HE1' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . 6.9 mtt180 -63.56 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' ARG . 9.6 ptp180 37.38 51.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? -63.26 143.35 97.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -97.55 141.22 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.34 144.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -165.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 12' ' ' THR . 5.1 t 45.2 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 11' ' ' THR . 3.5 t 45.98 58.12 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -160.65 137.31 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -152.18 150.06 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -127.18 57.61 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.13 9.7 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.48 16.83 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -36.69 53.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -159.72 157.81 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.0 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.06 83.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 112.96 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.97 -168.95 42.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 p -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.98 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.39 67.82 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.02 129.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.05 -99.49 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t 63.1 154.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -125.45 70.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.31 167.64 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 t -140.32 150.61 44.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.25 -53.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.25 -78.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.23 54.34 2.3 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 144.72 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -167.02 -177.87 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p -61.81 142.54 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.455 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' CG1' ' CB ' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' CG1' ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.58 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.503 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' CD2' ' HE2' ' A' ' 43' ' ' MET . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG11 ' A' ' 70' ' ' VAL . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 127.8 33.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -79.63 -51.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.8 mp0 -74.45 -4.16 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 36.88 54.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.42 154.54 35.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.478 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.523 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.622 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.478 ' CG ' ' HD3' ' A' ' 81' ' ' ARG . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.57 ' CE2' HD21 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CZ ' ' CZ2' ' A' ' 92' ' ' TRP . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.44 ' CG ' ' N ' ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 114' ' ' GLY . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.465 HG21 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.636 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.577 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.525 ' CB ' ' CG1' ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.577 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.503 ' CE1' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.14 94.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 62.43 98.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.46 126.29 88.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 -92.07 132.63 36.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.7 p -128.3 136.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 2.2 mm-40 -175.91 168.42 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -120.21 -50.9 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -172.38 140.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 162.85 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -117.37 139.68 50.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -116.6 53.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 -19.36 14.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 69.47 17.41 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.46 151.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.69 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -177.76 154.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 173.12 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 62.59 140.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.77 16.47 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.49 160.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 0.811 . . . . 0.0 110.065 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.45 64.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.67 120.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 64.97 4.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m 48.48 83.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.8 52.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.24 102.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.7 79.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -99.56 -52.63 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.7 tp 64.89 108.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.13 126.55 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.404 1.065 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -50.64 -62.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.4 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.91 146.95 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.05 141.75 57.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 -88.85 99.79 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 62.0 142.98 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -3.03 13.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -95.96 -58.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t 169.11 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.525 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD22 ' CE2' ' A' ' 100' ' ' PHE . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.454 ' CE2' HD22 ' A' ' 96' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 102' ' ' TYR . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.422 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.577 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.528 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.608 HD21 ' N ' ' A' ' 122' ' ' ASN . 1.0 OUTLIER -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.557 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -44.21 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' GLN . 3.3 mmm180 -46.65 136.43 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.9 tp60 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.76 143.89 97.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 -92.76 121.23 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.79 127.82 75.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 pm0 -76.11 154.48 35.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 49.0 p -150.4 -53.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.442 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -168.23 143.67 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.4 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.19 153.6 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p -169.14 145.39 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 59.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.2 tp -101.93 -21.09 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.64 15.93 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 43.14 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -94.11 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -39.54 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.4 m 43.52 66.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.35 88.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.95 134.96 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.83 91.25 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.38 171.11 14.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m 46.09 93.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.758 . . . . 0.0 110.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.08 65.85 3.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -147.58 162.07 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.33 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.41 88.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t -135.79 125.37 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.73 134.17 35.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.32 80.3 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.17 127.17 5.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 82.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -145.64 99.61 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m -73.15 142.28 47.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.473 ' CE ' HD23 ' A' ' 69' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' CG1' ' CB ' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG12 ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 HD11 ' NE1' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.591 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.595 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD23 ' CE ' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB3' ' CB ' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -70.53 141.61 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -78.15 -49.72 1.87 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.99 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -69.35 -28.64 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 61.2 13.52 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -111.22 171.43 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 139' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 100' ' ' PHE . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 96' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.483 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.591 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.526 ' CB ' ' CG1' ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.555 ' CD2' ' CE1' ' A' ' 123' ' ' PHE . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.407 ' O ' ' CG2' ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 2.4 mtp180 -64.01 -41.39 97.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 142' ' ' ARG . 2.8 ttm180 38.89 84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? -69.5 128.33 92.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.36 125.57 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.09 144.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.81 137.91 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -150.27 154.62 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t -85.55 122.97 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 143.65 44.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -130.56 127.82 39.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.7 48.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.96 13.39 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 68.93 16.01 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.21 50.88 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.209 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 46.11 76.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.47 148.77 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.89 92.5 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -57.36 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.28 60.58 4.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -160.32 -59.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.91 -162.5 12.83 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p 59.65 113.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.75 -167.2 34.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -130.33 158.47 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tp -154.89 147.48 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -156.12 146.67 21.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 p -82.15 116.96 21.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -122.93 -51.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.72 -59.36 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.02 176.1 30.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 138.39 50.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -140.9 129.9 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p -103.97 142.1 35.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.449 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG12 ' C ' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.71 124.5 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.605 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -79.5 -46.25 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -75.01 -42.65 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -14.38 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.54 38.27 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -135.84 153.87 51.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.548 ' CE2' ' HG3' ' A' ' 71' ' ' LYS . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 HD11 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 64' ' ' SER . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.648 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 109' ' ' PHE . 48.2 t-20 -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.613 ' CD2' ' CE1' ' A' ' 123' ' ' PHE . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 141' ' ' GLY . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.449 ' CD1' ' SD ' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.1 OUTLIER -69.17 -38.73 78.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 69.54 -60.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 142' ' ' ARG . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp -61.87 142.97 94.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 -99.28 120.62 39.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.4 t -128.47 115.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.78 167.65 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 11' ' ' THR . 12.5 t -173.04 66.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -171.13 92.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.83 168.77 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.1 138.91 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -118.4 59.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 tp -104.76 13.75 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 69.03 17.14 8.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.92 85.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 54.88 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.57 170.97 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.208 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 p -40.09 -58.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.14 170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.9 159.05 15.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m 62.65 158.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.08 165.15 44.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -159.57 160.33 34.31 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.458 0.74 . . . . 0.0 110.098 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.62 152.07 5.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -158.68 155.36 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.05 134.58 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.58 164.79 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 p -53.37 121.08 6.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -74.63 125.47 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -134.4 145.41 48.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.74 143.37 3.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 81.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt 59.82 -175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p -80.15 141.76 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' OG ' ' NZ ' ' A' ' 131' ' ' LYS . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.582 HG11 ' CD1' ' A' ' 123' ' ' PHE . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.68 120.51 22.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.613 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -76.65 -45.81 3.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.204 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.96 -42.08 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -78.6 -0.59 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLN . 30.6 mtp85 37.86 43.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -145.07 161.36 39.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' CB ' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.575 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' CB ' HD13 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.617 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' OE1' ' CD1' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 100' ' ' PHE . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' NH1' ' A' ' 143' ' ' ARG . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.519 ' CZ ' ' OD1' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.423 ' CA ' HG23 ' A' ' 119' ' ' VAL . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 12.0 t30 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.582 ' CD1' HG11 ' A' ' 48' ' ' VAL . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.429 ' NZ ' ' OG ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.581 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -63.46 -40.6 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 98' ' ' ASN . 44.7 ttp180 -40.09 -58.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' NH1' ' A' ' 106' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 2' ' ' LEU . 4.4 mm? -85.45 156.65 59.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 2.6 t80 -117.09 127.14 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.21 115.82 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.495 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -178.85 89.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 12' ' ' THR . 10.3 t -59.12 141.24 54.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 11' ' ' THR . 15.0 t 50.52 177.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' CE ' ' HB2' ' A' ' 95' ' ' GLU . 3.6 mptt -100.17 -169.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -144.29 88.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -118.38 53.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.63 14.19 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 71.17 17.85 5.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -55.08 5.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -141.48 113.5 7.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.69 -59.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.363 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.71 125.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.17 168.82 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.52 73.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -85.54 136.45 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.41 -166.64 15.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -84.46 165.6 17.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 0.726 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.93 64.29 0.6 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -132.56 93.35 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -171.2 164.8 7.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.57 53.09 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.5 114.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -121.73 101.7 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -168.96 123.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' N ' HD12 ' A' ' 36' ' ' LEU . . . -107.8 125.09 7.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -133.32 143.09 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.61 51.78 2.09 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p -81.29 142.33 33.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.432 ' OG1' ' CG2' ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 119' ' ' VAL . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.591 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.08 106.91 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.42 144.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -150.12 67.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -158.99 -63.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.03 164.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 71' ' ' LYS . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' GLN . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.433 HD11 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' CB ' HD11 ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 84' ' ' ASP . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 21.2 tp60 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.526 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.515 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.572 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 130' ' ' LYS . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.586 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.506 ' CG ' ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 133' ' ' ARG . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -61.69 -37.09 82.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.86 121.62 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 1.9 mm? -64.59 139.11 97.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -99.16 133.93 42.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -119.04 139.45 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.76 141.15 53.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -164.7 116.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.46 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -45.59 145.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -131.45 162.47 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.2 129.98 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -118.13 55.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.74 12.68 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 24' ' ' SER . . . 71.61 15.38 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 72.45 -65.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.32 127.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 70.62 -61.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -39.71 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.49 85.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.42 -157.61 27.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 m -124.62 162.73 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -41.39 121.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.51 -87.64 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.4 m 57.4 165.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.31 -66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -174.62 96.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.2 p -167.37 67.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -169.12 93.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.8 136.98 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.14 150.13 17.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -141.54 71.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 54.98 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -113.21 140.43 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.261 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' O ' ' CG1' ' A' ' 48' ' ' VAL . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.504 ' CB ' HG13 ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 4.2 m-20 -77.17 108.78 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.686 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -78.7 -40.59 1.69 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.98 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.491 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 7.8 mt-30 -123.33 -123.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -141.34 163.59 32.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.528 ' CE1' ' HD2' ' A' ' 71' ' ' LYS . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.504 HG13 ' CB ' ' A' ' 67' ' ' ALA . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 100' ' ' PHE . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 96' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.411 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.554 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.536 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.684 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.684 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -43.17 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -52.61 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 2' ' ' LEU . 4.5 mm? -65.12 129.74 94.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.582 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 72.0 t80 -108.8 134.26 51.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 t -111.3 140.63 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -96.96 132.21 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -122.23 -60.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -169.66 164.5 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -167.6 142.45 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m -143.56 150.95 39.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 57.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -105.54 15.1 27.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.36 18.35 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.382 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 56.41 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 56.22 168.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.46 68.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -106.92 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -51.34 101.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.72 -106.39 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.87 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.17 -147.33 8.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.2 m -149.96 168.48 23.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -43.87 148.62 0.92 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 p -81.7 156.94 24.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.749 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.5 93.19 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -85.71 117.21 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.13 96.53 5.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.14 167.52 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.34 73.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.12 141.85 4.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.01 178.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 0.712 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.81 157.64 12.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p -77.73 141.2 39.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HD11 ' A' ' 139' ' ' LEU . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 131' ' ' LYS . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' HE3' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' CD ' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -91.55 131.3 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.586 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.9 m-20 -80.86 -47.85 1.15 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.96 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.2 mp0 -75.84 -1.88 27.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' GLN . 5.0 mtt180 35.24 40.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p -141.59 147.13 37.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.508 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 96' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.479 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.404 ' NZ ' ' OG ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.522 ' CG ' ' CE2' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.457 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -65.87 -38.58 89.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 91.66 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -80.81 169.96 17.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 113' ' ' ALA . 17.2 t80 -132.02 135.88 46.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.38 145.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 127.51 32.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -125.08 60.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 70.14 -59.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.438 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 159.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 119.75 7.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -113.86 50.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.83 -20.58 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 69.9 13.86 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.96 100.93 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -157.16 156.15 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.83 102.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.1 -59.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 127.66 33.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.19 -146.2 16.1 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.1 p -172.37 128.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.66 172.16 32.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 52.18 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.13 100.77 0.86 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 97.69 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 110.033 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp -49.25 129.99 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -45.41 160.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -129.7 165.5 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -83.82 -52.6 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 70.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.34 70.62 3.06 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 98.99 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 46.18 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m -62.07 141.35 58.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.411 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.527 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.479 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -74.78 92.31 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -78.49 -39.36 1.63 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -2.14 12.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -122.76 -95.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 161.21 49.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m -164.68 -171.33 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' CZ ' HD13 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.602 HD11 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.524 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.413 HD13 ' CZ ' ' A' ' 81' ' ' ARG . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.617 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' GLU . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.434 ' CA ' HG23 ' A' ' 119' ' ' VAL . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.52 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.556 ' HB3' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.462 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 141' ' ' GLY . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.507 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -33.45 65.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 144' ' ' GLN . 1.5 tpt180 -57.93 125.42 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 143' ' ' ARG . 4.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' NH2' ' A' ' 106' ' ' ARG . 10.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.5 159.7 71.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -105.34 125.2 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.53 145.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.56 131.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -151.63 171.49 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.422 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -125.34 141.15 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 148.16 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -111.86 120.99 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.948 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.86 51.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.86 -21.04 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.43 18.14 4.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 43.61 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.44 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.27 162.35 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.04 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 -56.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.53 -133.01 6.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 t 66.98 123.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.35 -131.66 3.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.03 169.16 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.6 121.12 5.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.9 155.3 24.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 0.764 . . . . 0.0 110.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.55 -59.78 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -159.39 158.79 32.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.96 119.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.6 146.47 11.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.2 93.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.57 145.27 15.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.83 169.31 22.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.12 159.33 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m -67.38 139.94 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 5.6 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.565 ' CZ3' ' HB3' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG11 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 -86.41 88.14 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.768 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 7.6 t30 -77.99 -35.53 1.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -75.01 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 7.3 mt-30 -121.09 -104.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.24 44.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -177.25 -174.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.535 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 69' ' ' LEU . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.564 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 100' ' ' PHE . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 96' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.548 ' CD1' HG11 ' A' ' 48' ' ' VAL . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -67.22 -45.14 77.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 67.75 124.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.22 148.53 95.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.568 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 -108.36 117.36 33.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -129.95 124.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.23 148.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.0 -58.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.4 131.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.425 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -152.59 137.61 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -154.38 123.57 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -113.05 52.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.35 -20.83 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 68.02 18.12 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 93.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -177.67 150.87 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.02 163.82 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.25 79.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.92 148.85 37.9 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.96 -97.33 0.75 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.3 m 65.2 159.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.32 -170.42 37.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 147.34 23.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.63 154.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.84 126.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.82 129.84 36.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 54.04 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 t -174.77 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -46.19 104.26 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.64 155.77 30.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -176.94 83.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 0.831 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 59.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.429 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 84.1 m -116.41 142.44 46.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.265 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.533 ' CG2' ' ND2' ' A' ' 73' ' ' ASN . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.411 ' N ' HG11 ' A' ' 41' ' ' VAL . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.602 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.599 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 -67.81 135.27 52.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' CG2' ' A' ' 41' ' ' VAL . 1.2 t-20 -79.85 -50.93 1.18 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.93 -13.36 21.6 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 78.5 72.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -122.01 -34.53 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER 170.13 166.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.448 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.525 HD11 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.577 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.577 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 122' ' ' ASN . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.594 ' N ' ' CD1' ' A' ' 112' ' ' PHE . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 129' ' ' ALA . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 123' ' ' PHE . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -40.88 94.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -109.96 89.95 3.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt -61.23 151.34 76.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -109.47 118.49 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.56 138.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.73 138.2 53.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -156.85 147.47 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -45.96 136.54 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -130.09 155.01 46.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -135.99 138.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.51 53.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -89.85 -21.08 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 68.42 12.62 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.17 -56.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -171.4 146.37 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.05 156.65 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.247 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 m 63.3 129.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.01 -58.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.44 -129.36 4.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.8 167.56 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.84 113.13 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.35 148.69 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.787 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.73 -51.88 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 t 57.61 109.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 170.95 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.7 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -146.76 115.92 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.89 104.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.76 100.24 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.33 77.04 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -79.64 134.96 36.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 128.12 46.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m -113.3 136.76 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' CG2' ' CG ' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.551 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' CG ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.98 165.77 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -57.97 -52.39 74.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.99 -2.18 12.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 44.58 26.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -71.86 -18.58 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p -166.46 145.61 5.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 139' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.501 HD11 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.672 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HG ' ' CG ' ' A' ' 84' ' ' ASP . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.603 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' GLU . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.44 ' O ' ' CD2' ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.48 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.551 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.428 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 140' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -44.63 94.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 72.34 -59.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.242 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -97.97 -177.5 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -107.43 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -130.93 118.51 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.81 96.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -67.51 136.84 55.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 51.46 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' N ' HG23 ' A' ' 12' ' ' THR . 1.7 mmtp -150.71 176.13 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -131.39 113.95 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -118.14 58.79 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.3 -20.81 15.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 68.18 15.77 9.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.54 -47.5 69.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -94.42 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.4 168.21 24.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 130.16 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.25 142.8 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.96 102.29 0.49 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 166.97 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -127.17 170.5 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 110.067 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.21 -147.43 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -138.32 111.55 7.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.493 0.761 . . . . 0.0 110.042 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 tp 76.3 -70.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 19.1 p90 -174.36 85.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 t -179.94 105.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -136.5 54.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 57.96 109.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.01 43.45 0.6 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.101 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.59 100.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 0.756 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.69 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 8.6 p -63.04 135.27 57.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 108.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.586 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -106.3 93.3 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.88 141.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.568 1.825 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.231 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.78 -172.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 79' ' ' PHE . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.496 HD11 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CB ' HD13 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.609 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' GLU . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 99' ' ' ASN . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.513 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.456 ' CG2' ' HB1' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.596 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.609 ' CD2' ' HB1' ' A' ' 129' ' ' ALA . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.609 ' HB1' ' CD2' ' A' ' 123' ' ' PHE . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.494 ' CG ' ' CE1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.539 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -63.9 -40.86 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 142' ' ' ARG . 1.9 ptm180 40.29 -160.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 143' ' ' ARG . 13.0 tm0? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' N ' HD21 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -69.12 173.88 3.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.48 130.32 39.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.72 118.59 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 115.56 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.4 t -146.65 116.97 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 70.42 136.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.454 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' NZ ' ' OH ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -175.04 133.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p -164.21 126.71 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.979 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 53.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -20.62 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 69.43 15.15 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 93.86 9.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -158.62 162.39 37.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.43 56.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -58.84 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.05 91.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.82 -86.27 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t 55.56 84.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.34 -144.3 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 p -62.1 124.31 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 -162.87 23.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 79.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 2.7 pt? -170.93 144.0 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER 70.83 -61.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 87.5 p -41.73 117.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CD2' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -170.91 133.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.051 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt 64.77 158.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.54 149.99 6.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -45.38 165.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.26 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -159.48 -61.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.23 141.11 35.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 108.256 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.474 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 71' ' ' LYS . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 70' ' ' VAL . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -73.68 130.84 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.588 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -82.52 -47.9 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.94 -44.01 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 36.4 mt-30 -82.96 0.69 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 34.58 38.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.473 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p -123.17 150.76 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.495 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.47 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.592 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.602 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.594 HD22 ' CE2' ' A' ' 100' ' ' PHE . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.594 ' CE2' HD22 ' A' ' 96' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.512 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.561 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.65 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 114' ' ' GLY . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' HB2' ' CE ' ' A' ' 43' ' ' MET . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.26 -42.76 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 71.69 -61.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.556 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? -61.52 159.03 35.38 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.551 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 65.6 t80 -101.1 130.88 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.1 t -119.03 136.88 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.73 131.7 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.187 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -124.84 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -161.03 119.17 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -137.51 143.88 41.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.5 138.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -127.19 61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 9.6 tp -97.81 0.23 46.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . 81.25 15.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.91 166.62 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.24 -51.89 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.34 130.93 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.53 119.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -101.87 84.94 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.49 173.94 55.19 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.78 130.41 50.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.28 176.7 0.35 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.3 121.18 39.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 110.033 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.72 92.32 0.76 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.27 155.56 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -125.99 -63.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.9 90.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.99 80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -177.39 95.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -68.96 174.6 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' CD2' ' A' ' 36' ' ' LEU . . . 115.16 -152.74 17.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -70.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.81 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.58 140.44 29.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 108.361 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' CB ' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' SG ' ' CE1' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' CD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -78.1 126.61 31.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.662 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -80.35 -42.6 1.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.1 Cg_endo -75.08 -43.52 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.565 1.824 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.525 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 19.3 mt-30 -81.06 3.48 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER 35.35 40.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p -147.45 157.01 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.499 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 93' ' ' GLU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.636 ' CZ2' ' HB2' ' A' ' 94' ' ' GLN . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.636 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD21 ' CE2' ' A' ' 100' ' ' PHE . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.462 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.546 ' CE2' HD21 ' A' ' 96' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 102' ' ' TYR . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.458 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 120' ' ' ALA . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.512 ' CD1' HD21 ' A' ' 121' ' ' LEU . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.551 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.403 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.496 HG21 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.512 HD21 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.497 ' O ' ' CG2' ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.499 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -67.16 -44.33 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 65.67 141.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.556 HD21 ' CE2' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -99.2 161.16 25.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.475 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -126.27 125.17 41.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -112.67 145.59 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.75 108.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -113.99 154.9 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -64.75 105.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 162.57 15.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p -146.76 127.45 14.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.13 63.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.7 tp -86.16 8.29 21.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.86 17.16 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.185 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 151.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.49 88.53 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.66 110.66 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 p -147.18 109.63 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.66 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.37 20.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -69.81 130.05 41.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.77 122.6 0.74 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 t -153.74 134.75 13.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.1 62.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.469 1.106 . . . . 0.0 111.083 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -80.4 110.29 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.948 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.68 176.85 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 57.56 162.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 2.0 m 47.72 81.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -178.09 95.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.21 125.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.25 -114.75 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.59 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.92 139.32 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 p -78.77 138.29 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.303 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 123' ' ' PHE . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 92' ' ' TRP . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' HB2' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.554 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -78.4 -177.32 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.1 m120 -35.83 152.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -2.12 12.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -108.85 -7.62 15.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -100.9 -76.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 1.4 t 156.09 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 71' ' ' LYS . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD11 ' CD1' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.579 ' CD1' ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.583 ' CH2' ' HB2' ' A' ' 94' ' ' GLN . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' GLU . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.623 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 2' ' ' LEU . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.623 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.637 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.637 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.554 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.473 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 140' ' ' LEU . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.461 HG21 ' CZ ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 136' ' ' VAL . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.27 -41.28 97.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.62 136.04 11.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.716 HD22 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.768 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.808 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 65' ' ' GLY . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.892 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.905 ' HB2' HD12 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 90' ' ' LEU . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.949 ' CE3' HD12 ' A' ' 82' ' ' ILE . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' HD21 ' A' ' 140' ' ' LEU . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.716 ' CE2' HD22 ' A' ' 2' ' ' LEU . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.718 HG22 ' CB ' ' A' ' 120' ' ' ALA . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.785 ' CE1' HG23 ' A' ' 119' ' ' VAL . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.785 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.737 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.808 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 133' ' ' ARG . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.711 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 45.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB2' ' OE1' ' A' ' 128' ' ' GLU . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 66' ' ' VAL . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.645 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 47' ' ' VAL . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.761 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 80' ' ' LEU . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.683 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.773 ' HB3' HD21 ' A' ' 90' ' ' LEU . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.612 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 63' ' ' CYS . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' CB ' ' A' ' 78' ' ' TYR . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 ' CB ' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.607 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.6 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 121' ' ' LEU . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.744 ' OE1' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.719 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 132' ' ' PHE . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 43' ' ' MET . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.461 ' HE2' HD22 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 66' ' ' VAL . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 51' ' ' TYR . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.5 ' HB2' HD13 ' A' ' 91' ' ' LEU . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 47' ' ' VAL . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 68' ' ' CYS . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.94 HD12 ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 ' HD3' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 63' ' ' CYS . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.94 ' CE3' HD12 ' A' ' 82' ' ' ILE . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 90' ' ' LEU . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 78' ' ' TYR . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.49 ' O ' HD21 ' A' ' 140' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.43 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.455 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.455 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.843 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.461 HD22 ' HE2' ' A' ' 43' ' ' MET . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' TRP . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.825 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.604 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD21 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.899 HD12 ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.653 ' OD2' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE3' HD12 ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 78' ' ' TYR . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.556 ' O ' HD21 ' A' ' 140' ' ' LEU . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 3' ' ' PRO . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.918 ' CE1' HD23 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.642 ' CG ' HG23 ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.642 HG23 ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.918 HD23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 139' ' ' LEU . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 102' ' ' TYR . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 78' ' ' TYR . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.556 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 70' ' ' VAL . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.645 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.786 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLY . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.797 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 41' ' ' VAL . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CB ' ' CE2' ' A' ' 79' ' ' PHE . 17.7 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HE2' HD23 ' A' ' 139' ' ' LEU . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 69' ' ' LEU . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 90' ' ' LEU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.966 HD12 ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 63' ' ' CYS . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.966 ' CE3' HD12 ' A' ' 82' ' ' ILE . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB2' HD23 ' A' ' 90' ' ' LEU . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 4.1 mm-40 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.886 ' O ' HD21 ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 8' ' ' TYR . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 48' ' ' VAL . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.786 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.411 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.645 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 102' ' ' TYR . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.667 HD23 ' HE2' ' A' ' 78' ' ' TYR . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.886 HD21 ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' CYS . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.698 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 119' ' ' VAL . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 91' ' ' LEU . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' SER . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 41' ' ' VAL . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.703 ' CD ' HD11 ' A' ' 139' ' ' LEU . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 96' ' ' LEU . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.944 HD12 ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.706 ' OD2' HD11 ' A' ' 91' ' ' LEU . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.706 HD11 ' OD2' ' A' ' 84' ' ' ASP . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE3' HD12 ' A' ' 82' ' ' ILE . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.718 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.709 HG22 ' CB ' ' A' ' 120' ' ' ALA . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' A' ' 119' ' ' VAL . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.559 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.559 HG23 ' CG ' ' A' ' 115' ' ' ASP . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.777 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 1.024 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.604 ' OE2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 133' ' ' ARG . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.703 HD11 ' CD ' ' A' ' 71' ' ' LYS . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 59' ' ' TRP . 12.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.797 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.826 ' HB3' ' HE1' ' A' ' 132' ' ' PHE . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.763 ' CD1' HD22 ' A' ' 2' ' ' LEU . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.702 ' HB3' HD12 ' A' ' 96' ' ' LEU . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.726 ' HB3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.847 HD12 ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.599 ' CB ' HD11 ' A' ' 91' ' ' LEU . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.847 ' CE3' HD12 ' A' ' 82' ' ' ILE . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 78' ' ' TYR . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.753 ' O ' HD21 ' A' ' 140' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 132' ' ' PHE . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.793 ' HE2' HD22 ' A' ' 122' ' ' ASN . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' A' ' 52' ' ' ALA . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.793 HD22 ' HE2' ' A' ' 109' ' ' PHE . 3.8 m120 -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.826 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.797 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 43' ' ' MET . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.5 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.536 ' CE ' HD11 ' A' ' 139' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.002 HG13 ' HB3' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG12 ' HD1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.69 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' HE3' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG22 ' OG1' ' A' ' 42' ' ' THR . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.843 ' HB2' HD12 ' A' ' 96' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.799 ' HE3' HD12 ' A' ' 82' ' ' ILE . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 78' ' ' TYR . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.891 ' O ' HD21 ' A' ' 140' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.539 ' O ' HD23 ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.435 HG22 ' HB1' ' A' ' 120' ' ' ALA . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' CA ' HG22 ' A' ' 119' ' ' VAL . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 1.002 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.876 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.789 HG21 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.743 HD13 ' CE1' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' SG ' ' A' ' 68' ' ' CYS . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.811 ' HE3' HD21 ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.88 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.829 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.552 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 42' ' ' THR . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.583 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 91' ' ' LEU . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 63' ' ' CYS . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.459 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.552 ' CD2' ' ND2' ' A' ' 122' ' ' ASN . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.845 ' HB2' HD21 ' A' ' 121' ' ' LEU . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.552 ' ND2' ' CD2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.829 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.88 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 133' ' ' ARG . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.811 HD21 ' HE3' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 66' ' ' VAL . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 70' ' ' VAL . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 90' ' ' LEU . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.614 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.853 HD13 ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.917 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.853 ' OE1' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 78' ' ' TYR . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.537 ' CG ' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.662 ' CZ ' ' ND2' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE2' ' ND2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.441 ' CD2' ' CE2' ' A' ' 123' ' ' PHE . 2.2 m-70 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 120' ' ' ALA . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.635 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.662 ' ND2' ' CZ ' ' A' ' 108' ' ' TYR . 29.0 t-20 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' CG ' ' A' ' 132' ' ' PHE . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.698 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.588 HG13 HD13 ' A' ' 140' ' ' LEU . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.588 HD13 HG13 ' A' ' 136' ' ' VAL . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.779 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 2.6 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.727 ' OG1' HG22 ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' N ' HD13 ' A' ' 50' ' ' LEU . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.558 ' O ' HD12 ' A' ' 80' ' ' LEU . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.727 HG22 ' OG1' ' A' ' 42' ' ' THR . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.836 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 68' ' ' CYS . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.925 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 86' ' ' LYS . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.721 ' HD2' HG23 ' A' ' 85' ' ' ILE . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 91' ' ' LEU . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.925 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.742 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 5.9 tp-100 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.904 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.779 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' A' ' 119' ' ' VAL . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.528 HG21 ' HA3' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.506 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 126' ' ' GLU . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 HD13 ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.836 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.488 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 33.9 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 139' ' ' LEU . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.527 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.805 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.9 ' HB2' HD12 ' A' ' 96' ' ' LEU . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.842 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.805 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 63' ' ' CYS . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.842 ' HE3' HD12 ' A' ' 82' ' ' ILE . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.925 ' HB3' HD11 ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 78' ' ' TYR . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 1.004 ' O ' HD21 ' A' ' 140' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.607 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.66 HG22 ' CB ' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.857 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 102' ' ' TYR . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.524 HD22 ' SD ' ' A' ' 43' ' ' MET . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.004 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 109' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 70' ' ' VAL . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.448 ' HE2' ' CD ' ' A' ' 71' ' ' LYS . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.475 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD22 ' SD ' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 41' ' ' VAL . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' CD ' ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.905 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.933 HD12 ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.933 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' HD12 ' A' ' 90' ' ' LEU . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.668 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 1.039 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 112' ' ' PHE . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.526 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.522 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.039 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.491 HD23 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.592 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.692 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 17.2 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.907 ' SD ' HD12 ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 43' ' ' MET . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 139' ' ' LEU . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH2' HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.086 HD12 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 1.047 ' N ' HD21 ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 91' ' ' LEU . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.047 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 1.086 ' CE3' HD12 ' A' ' 82' ' ' ILE . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD12 ' HB3' ' A' ' 78' ' ' TYR . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.665 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.683 HG22 ' CB ' ' A' ' 120' ' ' ALA . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.665 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 133' ' ' ARG . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.507 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 68' ' ' CYS . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.783 ' HE3' ' HB1' ' A' ' 135' ' ' ALA . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.971 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.76 HG13 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.542 HG23 ' SG ' ' A' ' 68' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CB ' HD12 ' A' ' 96' ' ' LEU . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD23 ' HH2' ' A' ' 92' ' ' TRP . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.738 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.76 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 81' ' ' ARG . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 91' ' ' LEU . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.874 ' CE3' HD12 ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' O ' HD21 ' A' ' 140' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.613 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.783 ' HB1' ' HE3' ' A' ' 43' ' ' MET . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 102' ' ' TYR . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.687 HD11 ' SD ' ' A' ' 43' ' ' MET . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.648 ' HB3' HG11 ' A' ' 70' ' ' VAL . 84.1 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 70' ' ' VAL . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 68' ' ' CYS . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.435 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.876 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 41' ' ' VAL . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.71 ' CB ' HD12 ' A' ' 96' ' ' LEU . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.664 ' HD2' HD12 ' A' ' 90' ' ' LEU . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.971 HD12 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.971 ' CE3' HD12 ' A' ' 82' ' ' ILE . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD23 ' A' ' 80' ' ' LEU . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.589 ' HE1' ' HB1' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.859 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.589 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.464 ' CD2' HG12 ' A' ' 48' ' ' VAL . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 133' ' ' ARG . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.669 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 100' ' ' PHE . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.669 HG23 ' SG ' ' A' ' 68' ' ' CYS . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.755 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 65' ' ' GLY . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.495 ' O ' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.621 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.771 HG13 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.044 HD12 HD21 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 68' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.728 ' HB2' HD12 ' A' ' 96' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.923 HD12 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.771 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' SER . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.923 ' CE3' HD12 ' A' ' 82' ' ' ILE . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 78' ' ' TYR . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.773 ' O ' HD21 ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' CG ' HG23 ' A' ' 116' ' ' THR . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.604 ' HB2' HG12 ' A' ' 70' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 70' ' ' VAL . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.519 ' SD ' HD12 ' A' ' 139' ' ' LEU . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 66' ' ' VAL . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 49' ' ' GLN . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.651 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.788 ' CD1' HD12 ' A' ' 2' ' ' LEU . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.485 ' CB ' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.47 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.604 HG12 ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.692 ' CE2' HD21 ' A' ' 139' ' ' LEU . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD11 ' HZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.913 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.611 ' CB ' HD11 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.913 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.61 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD12 ' CB ' ' A' ' 78' ' ' TYR . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.878 ' O ' HD21 ' A' ' 140' ' ' LEU . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HE2' ' HD1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' CE2' ' HG2' ' A' ' 3' ' ' PRO . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.506 ' HD1' ' HE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.711 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 121' ' ' LEU . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.806 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.431 HG11 ' HB2' ' A' ' 102' ' ' TYR . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.878 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.798 ' O ' HG13 ' A' ' 70' ' ' VAL . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' GLY . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD21 ' HZ ' ' A' ' 112' ' ' PHE . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.952 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD22 ' CE ' ' A' ' 43' ' ' MET . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 41' ' ' VAL . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HD2' HD21 ' A' ' 139' ' ' LEU . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HE2' HD22 ' A' ' 139' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 1.016 ' HB3' HD21 ' A' ' 90' ' ' LEU . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.952 HG12 ' HB2' ' A' ' 67' ' ' ALA . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.607 ' OD2' HD11 ' A' ' 91' ' ' LEU . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.016 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' OD2' ' A' ' 84' ' ' ASP . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.908 ' CE3' HD12 ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 78' ' ' TYR . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' O ' HD21 ' A' ' 140' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 120' ' ' ALA . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 50' ' ' LEU . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.682 ' OD2' HG22 ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.682 HG22 ' OD2' ' A' ' 115' ' ' ASP . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.409 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.802 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.49 HG12 HD13 ' A' ' 140' ' ' LEU . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 78' ' ' TYR . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 65.6 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.635 ' HE3' HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.759 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 66' ' ' VAL . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.663 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 47' ' ' VAL . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 43' ' ' MET . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 41' ' ' VAL . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' CD ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CB ' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.113 HD12 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 90' ' ' LEU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.91 HD12 ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.605 ' CG ' HD11 ' A' ' 91' ' ' LEU . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 84' ' ' ASP . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.91 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 80' ' ' LEU . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.996 ' O ' HD21 ' A' ' 140' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.618 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.591 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' ' 116' ' ' THR . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' OD1' ' A' ' 115' ' ' ASP . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.618 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 102' ' ' TYR . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.621 HD11 ' CD ' ' A' ' 71' ' ' LYS . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.996 HD21 ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.592 HD23 ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HD2' HD23 ' A' ' 2' ' ' LEU . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.55 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' ' 70' ' ' VAL . 19.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.77 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' ' 40' ' ' CYS . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.6 ' HB2' HD12 ' A' ' 96' ' ' LEU . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.987 HD12 ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 1.008 ' N ' HD21 ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.987 ' CE3' HD12 ' A' ' 82' ' ' ILE . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 78' ' ' TYR . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.867 ' O ' HD21 ' A' ' 140' ' ' LEU . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.742 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.611 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 119' ' ' VAL . 2.2 tm0? -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.849 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.742 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 132' ' ' PHE . . . . . 0.77 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 102' ' ' TYR . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.867 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.716 HD22 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt -73.4 158.25 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.768 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 -107.56 128.44 54.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.38 145.37 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 157.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -148.59 -91.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.045 . . . . 0.0 110.371 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.691 ' H ' HG23 ' A' ' 11' ' ' THR . 14.4 t -151.01 141.13 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -135.4 134.87 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -164.83 126.19 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.04 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -97.42 19.51 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' H ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -106.31 -21.32 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . 67.81 9.89 7.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.22 156.69 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.92 102.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 65.54 141.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 67.11 74.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.08 -179.91 48.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.16 103.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' HD22 ' A' ' 19' ' ' LEU . . . 162.27 117.65 0.43 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.589 1.181 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.4 m 159.81 175.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.945 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.63 37.66 0.83 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.17 160.16 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.723 . . . . 0.0 109.998 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.59 -176.27 3.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -40.32 -82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER 170.14 -161.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -157.97 -62.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -156.92 103.32 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.71 90.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -151.73 122.89 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' CG ' ' C ' ' A' ' 38' ' ' LYS . 9.9 mtmt -150.28 89.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -114.98 141.91 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.808 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 65' ' ' GLY . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.892 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.9 m-20 -94.25 113.36 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.611 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -79.0 -46.24 1.72 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.95 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' OE1' ' CB ' ' A' ' 17' ' ' SER . 1.6 mm-40 -76.17 -29.91 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 69.52 55.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.414 1.072 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p -156.89 164.81 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.905 ' HB2' HD12 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 90' ' ' LEU . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.949 ' CE3' HD12 ' A' ' 82' ' ' ILE . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' HD21 ' A' ' 140' ' ' LEU . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.716 ' CE2' HD22 ' A' ' 2' ' ' LEU . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.718 HG22 ' CB ' ' A' ' 120' ' ' ALA . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.785 ' CE1' HG23 ' A' ' 119' ' ' VAL . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.785 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.737 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.808 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 133' ' ' ARG . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -41.6 99.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 144' ' ' GLN . 0.0 OUTLIER 41.01 -161.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' ARG . 6.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.28 126.15 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.711 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 45.2 t80 -101.77 129.05 47.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.21 140.04 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.61 163.06 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.77 -52.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -173.81 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER 61.67 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m -138.77 140.79 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' O ' ' CA ' ' A' ' 19' ' ' LEU . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -153.12 56.87 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 tp -80.17 -20.69 44.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.61 16.14 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -163.4 91.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -108.62 -61.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.29 68.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.2 p -172.74 168.64 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -55.96 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.74 100.48 2.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 t -110.4 -62.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.734 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.52 108.37 2.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.99 84.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.8 163.88 17.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.4 -57.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.084 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -154.08 -62.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 17.1 p90 -159.78 164.15 34.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 99.56 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.9 90.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.11 55.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.0 -123.7 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 73.36 173.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 70.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p -115.34 141.55 47.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.241 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB2' ' OE1' ' A' ' 128' ' ' GLU . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 66' ' ' VAL . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.645 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 47' ' ' VAL . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.761 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 80' ' ' LEU . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.5 m-20 -72.69 130.19 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.537 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.3 t-20 -81.43 -50.39 0.93 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -75.02 -44.14 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -74.28 -2.48 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' GLN . 16.7 ttm180 35.33 54.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p -152.61 150.04 29.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.058 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.683 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.773 ' HB3' HD21 ' A' ' 90' ' ' LEU . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.612 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 63' ' ' CYS . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' CB ' ' A' ' 78' ' ' TYR . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 ' CB ' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.607 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.6 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 121' ' ' LEU . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.744 ' OE1' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.719 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 132' ' ' PHE . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 43' ' ' MET . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.96 -41.91 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 38.95 43.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.2 158.71 31.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 -124.16 131.28 53.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.86 142.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.066 . . . . 0.0 109.227 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -39.53 125.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -132.71 164.81 25.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 t -75.32 134.96 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -132.99 146.85 52.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 142.54 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -148.93 57.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -97.29 -21.06 17.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.07 13.76 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -60.75 117.75 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 176.03 75.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.71 -61.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -46.82 -61.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -129.76 -57.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.98 -119.88 20.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.163 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.14 59.65 4.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -115.42 170.66 8.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.67 -63.42 1.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 58.73 112.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.31 166.36 16.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.397 1.06 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 53.29 91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.7 m -119.45 142.95 47.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.6 t80 45.98 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.76 116.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.06 93.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 160.95 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 67.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m -86.47 142.0 28.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.461 ' HE2' HD22 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 66' ' ' VAL . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 51' ' ' TYR . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.5 ' HB2' HD13 ' A' ' 91' ' ' LEU . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 47' ' ' VAL . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.48 150.16 46.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.541 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -60.76 -50.35 85.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.97 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 51.94 52.39 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.85 -14.36 15.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p -168.97 134.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 68' ' ' CYS . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.94 HD12 ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 ' HD3' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 63' ' ' CYS . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.94 ' CE3' HD12 ' A' ' 82' ' ' ILE . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 90' ' ' LEU . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 78' ' ' TYR . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.49 ' O ' HD21 ' A' ' 140' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.43 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.455 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.455 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.843 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.461 HD22 ' HE2' ' A' ' 43' ' ' MET . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.0 173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -76.98 177.51 2.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 -107.63 108.15 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -99.04 135.36 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.91 165.39 5.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -121.27 -59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.354 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.489 ' N ' HG22 ' A' ' 11' ' ' THR . 6.1 t -155.33 161.51 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.373 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.0 177.42 6.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -152.23 119.63 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -140.06 52.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -89.65 14.23 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 73.21 18.84 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -66.71 -57.0 8.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -150.24 102.46 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -136.12 -59.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.43 118.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -64.35 164.22 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.62 92.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.21 151.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 110.057 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.98 -152.68 12.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.19 124.19 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.66 -62.05 0.65 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.32 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.426 0.721 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.54 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -53.46 -53.55 49.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 47.79 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.33 151.2 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 114.34 1.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 126.72 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 100.61 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p -115.33 134.88 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' TRP . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.825 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.604 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 -102.08 120.13 39.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.602 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -81.78 -46.5 1.04 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 76' ' ' ARG . 9.5 mp0 -84.74 1.16 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' GLN . 11.3 mtt85 33.41 66.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -164.92 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD21 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.899 HD12 ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.653 ' OD2' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE3' HD12 ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 78' ' ' TYR . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.556 ' O ' HD21 ' A' ' 140' ' ' LEU . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 3' ' ' PRO . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.918 ' CE1' HD23 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.642 ' CG ' HG23 ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.642 HG23 ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.918 HD23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 139' ' ' LEU . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 102' ' ' TYR . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 78' ' ' TYR . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.556 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -42.59 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 57.35 93.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -86.21 -178.92 1.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 -96.12 118.93 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.76 144.62 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.4 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -141.9 -70.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' THR . 62.2 m -155.01 -67.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' ' OH ' ' A' ' 8' ' ' TYR . 1.9 mmmm 62.39 16.07 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' HB2' HG22 ' A' ' 12' ' ' THR . 69.6 m -78.41 133.43 37.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 13' ' ' LYS . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -127.09 57.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -97.0 11.1 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.8 18.37 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -55.06 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.425 1.078 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 158.64 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.1 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.8 m 61.54 124.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.66 162.38 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.89 176.51 23.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -173.32 165.76 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.28 144.72 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.1 170.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.23 -122.35 4.1 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.19 56.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 0.819 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.93 94.5 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -168.17 107.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.26 76.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 42.83 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.81 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.81 -130.75 5.9 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 66.4 124.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.39 64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.78 142.19 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 70' ' ' VAL . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.645 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.786 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLY . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.797 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 41' ' ' VAL . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ASN . 17.7 t70 -86.25 94.25 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ASP . 25.1 m-80 60.89 144.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -2.95 13.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.62 -62.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.261 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p 172.02 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HE2' HD23 ' A' ' 139' ' ' LEU . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 69' ' ' LEU . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 90' ' ' LEU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.966 HD12 ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 63' ' ' CYS . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.966 ' CE3' HD12 ' A' ' 82' ' ' ILE . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB2' HD23 ' A' ' 90' ' ' LEU . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 4.1 mm-40 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.886 ' O ' HD21 ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 8' ' ' TYR . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 48' ' ' VAL . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.786 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.411 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.645 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 102' ' ' TYR . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.667 HD23 ' HE2' ' A' ' 78' ' ' TYR . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.886 HD21 ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . 6.9 mtt180 -63.56 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' ARG . 9.6 ptp180 37.38 51.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? -63.26 143.35 97.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -97.55 141.22 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.34 144.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -81.31 -165.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 10' ' ' GLN . 5.1 t 45.2 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 ' C ' ' A' ' 11' ' ' THR . 3.5 t 45.98 58.12 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -160.65 137.31 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -152.18 150.06 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -127.18 57.61 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -100.13 9.7 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.48 16.83 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -36.69 53.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -159.72 157.81 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.0 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.06 83.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 112.96 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.97 -168.95 42.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 p -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.98 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.39 67.82 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.02 129.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.05 -99.49 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t 63.1 154.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -125.45 70.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.31 167.64 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 t -140.32 150.61 44.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.25 -53.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.25 -78.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.23 54.34 2.3 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 144.72 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -167.02 -177.87 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p -61.81 142.54 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' CYS . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.698 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 119' ' ' VAL . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 91' ' ' LEU . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' SER . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 41' ' ' VAL . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.703 ' CD ' HD11 ' A' ' 139' ' ' LEU . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 127.8 33.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.54 ' ND2' ' OE1' ' A' ' 144' ' ' GLN . 0.4 OUTLIER -79.63 -51.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.8 mp0 -74.45 -4.16 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 36.88 54.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.42 154.54 35.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 96' ' ' LEU . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.944 HD12 ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.706 ' OD2' HD11 ' A' ' 91' ' ' LEU . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.706 HD11 ' OD2' ' A' ' 84' ' ' ASP . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE3' HD12 ' A' ' 82' ' ' ILE . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.718 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.709 HG22 ' CB ' ' A' ' 120' ' ' ALA . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' A' ' 119' ' ' VAL . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.559 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.559 HG23 ' CG ' ' A' ' 115' ' ' ASP . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.777 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 1.024 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.604 ' OE2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 133' ' ' ARG . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.703 HD11 ' CD ' ' A' ' 71' ' ' LYS . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.14 94.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 62.43 98.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.54 ' OE1' ' ND2' ' A' ' 73' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 59' ' ' TRP . 12.9 mt -74.46 126.29 88.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 -92.07 132.63 36.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.7 p -128.3 136.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 2.2 mm-40 -175.91 168.42 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 12' ' ' THR . 5.9 t -120.21 -50.9 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 11' ' ' THR . 8.8 t -172.38 140.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 162.85 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -117.37 139.68 50.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -116.6 53.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -103.74 -19.36 14.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.47 17.41 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.46 151.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.69 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -177.76 154.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 173.12 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 62.59 140.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.77 16.47 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.49 160.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 0.811 . . . . 0.0 110.065 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.45 64.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.67 120.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 64.97 4.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m 48.48 83.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.8 52.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.24 102.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.7 79.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -99.56 -52.63 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.7 tp 64.89 108.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.13 126.55 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.404 1.065 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -50.64 -62.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.4 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.91 146.95 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.05 141.75 57.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.797 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.826 ' HB3' ' HE1' ' A' ' 132' ' ' PHE . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.763 ' CD1' HD22 ' A' ' 2' ' ' LEU . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 -88.85 99.79 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m120 62.0 142.98 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -3.03 13.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -95.96 -58.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t 169.11 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.702 ' HB3' HD12 ' A' ' 96' ' ' LEU . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.726 ' HB3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.847 HD12 ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.599 ' CB ' HD11 ' A' ' 91' ' ' LEU . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.847 ' CE3' HD12 ' A' ' 82' ' ' ILE . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 78' ' ' TYR . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.753 ' O ' HD21 ' A' ' 140' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 132' ' ' PHE . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.793 ' HE2' HD22 ' A' ' 122' ' ' ASN . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' A' ' 52' ' ' ALA . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.793 HD22 ' HE2' ' A' ' 109' ' ' PHE . 3.8 m120 -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.826 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.797 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 43' ' ' MET . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -44.21 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' GLN . 3.3 mmm180 -46.65 136.43 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.9 tp60 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.5 mp -63.76 143.89 97.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 -92.76 121.23 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.79 127.82 75.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' C ' HG23 ' A' ' 11' ' ' THR . 8.6 pm0 -76.11 154.48 35.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 10' ' ' GLN . 49.0 p -150.4 -53.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.442 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -168.23 143.67 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.4 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.19 153.6 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p -169.14 145.39 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 59.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 tp -101.93 -21.09 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.64 15.93 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 43.14 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -94.11 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -39.54 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.4 m 43.52 66.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.35 88.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.95 134.96 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.83 91.25 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.38 171.11 14.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m 46.09 93.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.758 . . . . 0.0 110.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.08 65.85 3.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -147.58 162.07 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.33 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.41 88.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t -135.79 125.37 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.73 134.17 35.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.32 80.3 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.17 127.17 5.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 82.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -145.64 99.61 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m -73.15 142.28 47.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.536 ' CE ' HD11 ' A' ' 139' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.002 HG13 ' HB3' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG12 ' HD1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.69 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' HE3' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG22 ' OG1' ' A' ' 42' ' ' THR . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB3' ' CB ' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -70.53 141.61 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -78.15 -49.72 1.87 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.99 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -69.35 -28.64 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 61.2 13.52 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -111.22 171.43 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.843 ' HB2' HD12 ' A' ' 96' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.799 ' HE3' HD12 ' A' ' 82' ' ' ILE . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 78' ' ' TYR . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.891 ' O ' HD21 ' A' ' 140' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.539 ' O ' HD23 ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.435 HG22 ' HB1' ' A' ' 120' ' ' ALA . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' CA ' HG22 ' A' ' 119' ' ' VAL . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 1.002 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.876 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.789 HG21 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.743 HD13 ' CE1' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 2.4 mtp180 -64.01 -41.39 97.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 142' ' ' ARG . 2.8 ttm180 38.89 84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? -69.5 128.33 92.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.36 125.57 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.09 144.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.81 137.91 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -150.27 154.62 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t -85.55 122.97 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 143.65 44.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -130.56 127.82 39.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.7 48.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -101.96 13.39 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.93 16.01 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.21 50.88 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.209 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 46.11 76.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.47 148.77 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.89 92.5 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -57.36 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.28 60.58 4.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -160.32 -59.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.91 -162.5 12.83 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p 59.65 113.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.75 -167.2 34.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -130.33 158.47 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tp -154.89 147.48 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -156.12 146.67 21.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 p -82.15 116.96 21.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -122.93 -51.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.72 -59.36 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.02 176.1 30.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 138.39 50.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -140.9 129.9 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p -103.97 142.1 35.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' SG ' ' A' ' 68' ' ' CYS . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.811 ' HE3' HD21 ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.88 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.829 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.552 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 42' ' ' THR . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.71 124.5 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.605 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -79.5 -46.25 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -75.01 -42.65 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -14.38 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.54 38.27 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -135.84 153.87 51.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.583 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 91' ' ' LEU . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 63' ' ' CYS . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.459 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.552 ' CD2' ' ND2' ' A' ' 122' ' ' ASN . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.845 ' HB2' HD21 ' A' ' 121' ' ' LEU . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.552 ' ND2' ' CD2' ' A' ' 108' ' ' TYR . 0.8 OUTLIER -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.829 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.88 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 133' ' ' ARG . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.811 HD21 ' HE3' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.1 OUTLIER -69.17 -38.73 78.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 69.54 -60.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 142' ' ' ARG . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp -61.87 142.97 94.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 -99.28 120.62 39.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.4 t -128.47 115.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.78 167.65 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' THR . 12.5 t -173.04 66.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 12' ' ' THR . 4.7 t -171.13 92.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.83 168.77 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.1 138.91 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -118.4 59.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.3 tp -104.76 13.75 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.03 17.14 8.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.92 85.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 54.88 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.57 170.97 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.208 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 p -40.09 -58.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.14 170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.9 159.05 15.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m 62.65 158.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.08 165.15 44.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -159.57 160.33 34.31 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.458 0.74 . . . . 0.0 110.098 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.62 152.07 5.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -158.68 155.36 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.05 134.58 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.58 164.79 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 p -53.37 121.08 6.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -74.63 125.47 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -134.4 145.41 48.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.74 143.37 3.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 81.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt 59.82 -175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p -80.15 141.76 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 66' ' ' VAL . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.68 120.51 22.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.613 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -76.65 -45.81 3.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.204 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.96 -42.08 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -78.6 -0.59 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLN . 30.6 mtp85 37.86 43.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -145.07 161.36 39.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 70' ' ' VAL . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 90' ' ' LEU . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.614 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.853 HD13 ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.917 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.853 ' OE1' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 78' ' ' TYR . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' NH1' ' A' ' 143' ' ' ARG . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.537 ' CG ' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.662 ' CZ ' ' ND2' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.579 ' CE2' ' ND2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.441 ' CD2' ' CE2' ' A' ' 123' ' ' PHE . 2.2 m-70 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 120' ' ' ALA . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.635 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.662 ' ND2' ' CZ ' ' A' ' 108' ' ' TYR . 29.0 t-20 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' CG ' ' A' ' 132' ' ' PHE . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.698 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.588 HG13 HD13 ' A' ' 140' ' ' LEU . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.588 HD13 HG13 ' A' ' 136' ' ' VAL . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -63.46 -40.6 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 98' ' ' ASN . 44.7 ttp180 -40.09 -58.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' NH1' ' A' ' 106' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.45 156.65 59.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.779 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 2.6 t80 -117.09 127.14 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.21 115.82 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -178.85 89.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 12' ' ' THR . 10.3 t -59.12 141.24 54.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 11' ' ' THR . 15.0 t 50.52 177.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CE ' ' HB2' ' A' ' 95' ' ' GLU . 3.6 mptt -100.17 -169.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -144.29 88.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -118.38 53.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -91.63 14.19 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 71.17 17.85 5.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -55.08 5.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -141.48 113.5 7.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.69 -59.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.363 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.71 125.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.17 168.82 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.52 73.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -85.54 136.45 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.41 -166.64 15.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -84.46 165.6 17.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 0.726 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.93 64.29 0.6 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -132.56 93.35 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -171.2 164.8 7.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.57 53.09 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.5 114.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -121.73 101.7 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.96 123.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.8 125.09 7.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -133.32 143.09 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.61 51.78 2.09 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p -81.29 142.33 33.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.727 ' OG1' HG22 ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' N ' HD13 ' A' ' 50' ' ' LEU . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.558 ' O ' HD12 ' A' ' 80' ' ' LEU . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.727 HG22 ' OG1' ' A' ' 42' ' ' THR . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.08 106.91 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.42 144.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -150.12 67.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -158.99 -63.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER 170.03 164.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.836 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 68' ' ' CYS . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.925 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 86' ' ' LYS . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.721 ' HD2' HG23 ' A' ' 85' ' ' ILE . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 91' ' ' LEU . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.925 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.742 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 5.9 tp-100 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.904 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.779 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' A' ' 119' ' ' VAL . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.528 HG21 ' HA3' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.506 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 126' ' ' GLU . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 HD13 ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.836 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -61.69 -37.09 82.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.86 121.62 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.9 mm? -64.59 139.11 97.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 33.9 t80 -99.16 133.93 42.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -119.04 139.45 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.76 141.15 53.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 11' ' ' THR . 8.8 t -164.7 116.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -45.59 145.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -131.45 162.47 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.2 129.98 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -118.13 55.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -101.74 12.68 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 71.61 15.38 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 72.45 -65.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.32 127.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 70.62 -61.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -39.71 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.49 85.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.42 -157.61 27.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 m -124.62 162.73 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -41.39 121.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.51 -87.64 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.4 m 57.4 165.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.31 -66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -174.62 96.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.2 p -167.37 67.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -169.12 93.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.8 136.98 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.14 150.13 17.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -141.54 71.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 54.98 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -113.21 140.43 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.261 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.869 HG13 ' ND2' ' A' ' 73' ' ' ASN . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 139' ' ' LEU . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.527 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.805 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 4.2 m-20 -77.17 108.78 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.869 ' ND2' HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -78.7 -40.59 1.69 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.98 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 7.8 mt-30 -123.33 -123.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -141.34 163.59 32.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.9 ' HB2' HD12 ' A' ' 96' ' ' LEU . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.842 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.805 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 63' ' ' CYS . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.842 ' HE3' HD12 ' A' ' 82' ' ' ILE . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.925 ' HB3' HD11 ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 78' ' ' TYR . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 1.004 ' O ' HD21 ' A' ' 140' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.607 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.66 HG22 ' CB ' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.857 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 102' ' ' TYR . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.524 HD22 ' SD ' ' A' ' 43' ' ' MET . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.004 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -43.17 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -52.61 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 109' ' ' PHE . 4.5 mm? -65.12 129.74 94.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -108.8 134.26 51.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 t -111.3 140.63 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -96.96 132.21 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -122.23 -60.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -169.66 164.5 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -167.6 142.45 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m -143.56 150.95 39.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 57.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.8 tp -105.54 15.1 27.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.36 18.35 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.382 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 56.41 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 56.22 168.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.46 68.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -106.92 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -51.34 101.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.72 -106.39 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.87 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.17 -147.33 8.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.2 m -149.96 168.48 23.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -43.87 148.62 0.92 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 p -81.7 156.94 24.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.749 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.5 93.19 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -85.71 117.21 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.13 96.53 5.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.14 167.52 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.34 73.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.12 141.85 4.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.01 178.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 0.712 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.81 157.64 12.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p -77.73 141.2 39.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 70' ' ' VAL . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.448 ' HE2' ' CD ' ' A' ' 71' ' ' LYS . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.475 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD22 ' SD ' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 41' ' ' VAL . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' CD ' ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -91.55 131.3 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.586 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.9 m-20 -80.86 -47.85 1.15 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.96 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.2 mp0 -75.84 -1.88 27.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' GLN . 5.0 mtt180 35.24 40.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p -141.59 147.13 37.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.905 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.933 HD12 ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.933 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' HD12 ' A' ' 90' ' ' LEU . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.668 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 1.039 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 112' ' ' PHE . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.526 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.522 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.039 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -65.87 -38.58 89.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 91.66 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.491 HD23 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -80.81 169.96 17.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.592 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.692 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 17.2 t80 -132.02 135.88 46.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.38 145.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 127.51 32.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 11' ' ' THR . 5.1 t -125.08 60.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 70.14 -59.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.438 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 159.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 119.75 7.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.764 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -113.86 50.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -90.83 -20.58 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.9 13.86 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.96 100.93 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -157.16 156.15 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.83 102.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.1 -59.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 127.66 33.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.19 -146.2 16.1 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.1 p -172.37 128.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.66 172.16 32.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 52.18 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.13 100.77 0.86 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 97.69 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 110.033 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp -49.25 129.99 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -45.41 160.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -129.7 165.5 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -83.82 -52.6 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 70.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.34 70.62 3.06 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 98.99 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 46.18 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m -62.07 141.35 58.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.907 ' SD ' HD12 ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 43' ' ' MET . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -74.78 92.31 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -78.49 -39.36 1.63 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -2.14 12.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -122.76 -95.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 161.21 49.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m -164.68 -171.33 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 139' ' ' LEU . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH2' HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.086 HD12 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 1.047 ' N ' HD21 ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 91' ' ' LEU . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.047 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 1.086 ' CE3' HD12 ' A' ' 82' ' ' ILE . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD12 ' HB3' ' A' ' 78' ' ' TYR . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.665 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.683 HG22 ' CB ' ' A' ' 120' ' ' ALA . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.665 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 133' ' ' ARG . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -33.45 65.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 144' ' ' GLN . 1.5 tpt180 -57.93 125.42 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 143' ' ' ARG . 4.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' NH2' ' A' ' 106' ' ' ARG . 10.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.5 159.7 71.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 125.2 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.53 145.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.56 131.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -151.63 171.49 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.422 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -125.34 141.15 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 148.16 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -111.86 120.99 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.948 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.86 51.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -100.86 -21.04 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.43 18.14 4.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 43.61 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.44 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.27 162.35 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.04 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 -56.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.53 -133.01 6.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 t 66.98 123.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.35 -131.66 3.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.03 169.16 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.6 121.12 5.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.9 155.3 24.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 0.764 . . . . 0.0 110.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.55 -59.78 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -159.39 158.79 32.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.96 119.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.6 146.47 11.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.2 93.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.57 145.27 15.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.83 169.31 22.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.12 159.33 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m -67.38 139.94 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 68' ' ' CYS . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.783 ' HE3' ' HB1' ' A' ' 135' ' ' ALA . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.971 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.76 HG13 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.542 HG23 ' SG ' ' A' ' 68' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 -86.41 88.14 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.768 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 7.6 t30 -77.99 -35.53 1.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -75.01 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 7.3 mt-30 -121.09 -104.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.24 44.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -177.25 -174.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CB ' HD12 ' A' ' 96' ' ' LEU . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD23 ' HH2' ' A' ' 92' ' ' TRP . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.738 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.76 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 81' ' ' ARG . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 91' ' ' LEU . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.874 ' CE3' HD12 ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' O ' HD21 ' A' ' 140' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.613 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.783 ' HB1' ' HE3' ' A' ' 43' ' ' MET . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 102' ' ' TYR . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.687 HD11 ' SD ' ' A' ' 43' ' ' MET . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -67.22 -45.14 77.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 67.75 124.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.22 148.53 95.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 -108.36 117.36 33.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -129.95 124.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.23 148.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.0 -58.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.4 131.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.425 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -152.59 137.61 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -154.38 123.57 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.624 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -113.05 52.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -96.35 -20.83 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.02 18.12 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 93.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -177.67 150.87 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.02 163.82 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.25 79.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.92 148.85 37.9 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.96 -97.33 0.75 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.3 m 65.2 159.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.32 -170.42 37.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 147.34 23.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.63 154.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.84 126.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.82 129.84 36.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 54.04 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 t -174.77 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -46.19 104.26 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.64 155.77 30.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -176.94 83.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 0.831 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 59.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.648 ' HB3' HG11 ' A' ' 70' ' ' VAL . 84.1 m -116.41 142.44 46.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.265 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 70' ' ' VAL . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 68' ' ' CYS . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.435 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.876 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 41' ' ' VAL . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 -67.81 135.27 52.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.1 OUTLIER -79.85 -50.93 1.18 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.93 -13.36 21.6 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 78.5 72.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -122.01 -34.53 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER 170.13 166.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.71 ' CB ' HD12 ' A' ' 96' ' ' LEU . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.664 ' HD2' HD12 ' A' ' 90' ' ' LEU . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.971 HD12 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.971 ' CE3' HD12 ' A' ' 82' ' ' ILE . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD23 ' A' ' 80' ' ' LEU . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.589 ' HE1' ' HB1' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.859 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.589 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.464 ' CD2' HG12 ' A' ' 48' ' ' VAL . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 133' ' ' ARG . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.669 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 100' ' ' PHE . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -40.88 94.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -109.96 89.95 3.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt -61.23 151.34 76.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -109.47 118.49 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.56 138.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.73 138.2 53.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -156.85 147.47 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -45.96 136.54 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -130.09 155.01 46.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -135.99 138.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.51 53.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 19' ' ' LEU . 7.0 tp -89.85 -21.08 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.42 12.62 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.17 -56.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -171.4 146.37 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.05 156.65 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.247 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 m 63.3 129.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.01 -58.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.44 -129.36 4.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.8 167.56 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.84 113.13 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.35 148.69 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.787 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.73 -51.88 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 t 57.61 109.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 170.95 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.7 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -146.76 115.92 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.89 104.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.76 100.24 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.33 77.04 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -79.64 134.96 36.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 128.12 46.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m -113.3 136.76 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.669 HG23 ' SG ' ' A' ' 68' ' ' CYS . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.755 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 65' ' ' GLY . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.495 ' O ' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.621 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.771 HG13 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.044 HD12 HD21 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 68' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.98 165.77 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -57.97 -52.39 74.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.99 -2.18 12.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 44.58 26.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -71.86 -18.58 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p -166.46 145.61 5.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.728 ' HB2' HD12 ' A' ' 96' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.923 HD12 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.771 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' SER . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.923 ' CE3' HD12 ' A' ' 82' ' ' ILE . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 78' ' ' TYR . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.773 ' O ' HD21 ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' CG ' HG23 ' A' ' 116' ' ' THR . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -44.63 94.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 72.34 -59.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.242 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -97.97 -177.5 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -107.43 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.8 p -130.93 118.51 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.81 96.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -67.51 136.84 55.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 51.46 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' N ' HG23 ' A' ' 12' ' ' THR . 1.7 mmtp -150.71 176.13 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -131.39 113.95 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -118.14 58.79 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -101.3 -20.81 15.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.18 15.77 9.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.54 -47.5 69.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -94.42 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.4 168.21 24.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 130.16 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.25 142.8 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.96 102.29 0.49 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 166.97 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -127.17 170.5 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 110.067 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.21 -147.43 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -138.32 111.55 7.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.493 0.761 . . . . 0.0 110.042 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' HE1' ' A' ' 33' ' ' PHE . 6.7 tp 76.3 -70.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' HE1' HD23 ' A' ' 32' ' ' LEU . 19.1 p90 -174.36 85.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 t -179.94 105.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -136.5 54.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 57.96 109.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.01 43.45 0.6 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.101 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.59 100.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 0.756 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.69 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.604 ' HB2' HG12 ' A' ' 70' ' ' VAL . 8.6 p -63.04 135.27 57.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 108.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 70' ' ' VAL . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.519 ' SD ' HD12 ' A' ' 139' ' ' LEU . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 66' ' ' VAL . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 49' ' ' GLN . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.651 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.788 ' CD1' HD12 ' A' ' 2' ' ' LEU . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.485 ' CB ' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.47 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.604 HG12 ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -106.3 93.3 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.88 141.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.568 1.825 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.231 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.78 -172.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.692 ' CE2' HD21 ' A' ' 139' ' ' LEU . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD11 ' HZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.913 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.611 ' CB ' HD11 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.913 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.61 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD12 ' CB ' ' A' ' 78' ' ' TYR . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.878 ' O ' HD21 ' A' ' 140' ' ' LEU . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HE2' ' HD1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' CE2' ' HG2' ' A' ' 3' ' ' PRO . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.506 ' HD1' ' HE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.711 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 121' ' ' LEU . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.806 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.431 HG11 ' HB2' ' A' ' 102' ' ' TYR . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.878 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -63.9 -40.86 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 142' ' ' ARG . 1.9 ptm180 40.29 -160.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 143' ' ' ARG . 13.0 tm0? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -69.12 173.88 3.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -93.48 130.32 39.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.72 118.59 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 115.56 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' THR . 15.4 t -146.65 116.97 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 70.42 136.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.454 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 133.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p -164.21 126.71 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.979 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 53.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.72 -20.62 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.43 15.15 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 93.86 9.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -158.62 162.39 37.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.43 56.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -58.84 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.05 91.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.82 -86.27 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t 55.56 84.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.34 -144.3 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 p -62.1 124.31 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 -162.87 23.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 79.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 2.7 pt? -170.93 144.0 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER 70.83 -61.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 87.5 p -41.73 117.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CD2' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -170.91 133.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.051 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt 64.77 158.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.54 149.99 6.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -45.38 165.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.26 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -159.48 -61.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.23 141.11 35.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 108.256 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.798 ' O ' HG13 ' A' ' 70' ' ' VAL . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' GLY . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD21 ' HZ ' ' A' ' 112' ' ' PHE . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.952 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD22 ' CE ' ' A' ' 43' ' ' MET . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 41' ' ' VAL . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HD2' HD21 ' A' ' 139' ' ' LEU . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -73.68 130.84 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.588 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -82.52 -47.9 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.94 -44.01 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 36.4 mt-30 -82.96 0.69 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 34.58 38.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p -123.17 150.76 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HE2' HD22 ' A' ' 139' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 1.016 ' HB3' HD21 ' A' ' 90' ' ' LEU . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.952 HG12 ' HB2' ' A' ' 67' ' ' ALA . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.607 ' OD2' HD11 ' A' ' 91' ' ' LEU . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.016 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' OD2' ' A' ' 84' ' ' ASP . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.908 ' CE3' HD12 ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 78' ' ' TYR . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' O ' HD21 ' A' ' 140' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 120' ' ' ALA . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 50' ' ' LEU . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.682 ' OD2' HG22 ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.682 HG22 ' OD2' ' A' ' 115' ' ' ASP . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.409 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.802 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.49 HG12 HD13 ' A' ' 140' ' ' LEU . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 78' ' ' TYR . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.26 -42.76 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 71.69 -61.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? -61.52 159.03 35.38 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 65.6 t80 -101.1 130.88 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 11' ' ' THR . 80.1 t -119.03 136.88 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.73 131.7 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.187 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' VAL . 33.7 p -124.84 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -161.03 119.17 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -137.51 143.88 41.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.5 138.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -127.19 61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.6 tp -97.81 0.23 46.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 81.25 15.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.91 166.62 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.24 -51.89 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.34 130.93 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.53 119.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -101.87 84.94 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.49 173.94 55.19 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.78 130.41 50.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.28 176.7 0.35 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.3 121.18 39.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 110.033 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.72 92.32 0.76 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.27 155.56 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -125.99 -63.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.9 90.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.99 80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -177.39 95.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -68.96 174.6 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.829 ' N ' HD22 ' A' ' 36' ' ' LEU . . . 115.16 -152.74 17.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -70.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.81 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.58 140.44 29.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 108.361 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.635 ' HE3' HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.759 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 66' ' ' VAL . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.663 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 47' ' ' VAL . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 43' ' ' MET . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 41' ' ' VAL . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' CD ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -78.1 126.61 31.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.662 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -80.35 -42.6 1.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.1 Cg_endo -75.08 -43.52 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.565 1.824 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 19.3 mt-30 -81.06 3.48 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER 35.35 40.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p -147.45 157.01 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CB ' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.113 HD12 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 90' ' ' LEU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.91 HD12 ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.605 ' CG ' HD11 ' A' ' 91' ' ' LEU . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 84' ' ' ASP . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.91 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 80' ' ' LEU . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.996 ' O ' HD21 ' A' ' 140' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.618 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.591 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' ' 116' ' ' THR . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' OD1' ' A' ' 115' ' ' ASP . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.618 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 102' ' ' TYR . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.621 HD11 ' CD ' ' A' ' 71' ' ' LYS . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.996 HD21 ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -67.16 -44.33 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 65.67 141.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.592 HD23 ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -99.2 161.16 25.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HD2' HD23 ' A' ' 2' ' ' LEU . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -126.27 125.17 41.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -112.67 145.59 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.75 108.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -113.99 154.9 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -64.75 105.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 162.57 15.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p -146.76 127.45 14.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.13 63.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.7 tp -86.16 8.29 21.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.86 17.16 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.185 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 151.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.49 88.53 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.66 110.66 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 p -147.18 109.63 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.66 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.37 20.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -69.81 130.05 41.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.77 122.6 0.74 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 t -153.74 134.75 13.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.1 62.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.469 1.106 . . . . 0.0 111.083 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -80.4 110.29 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.948 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.68 176.85 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 57.56 162.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 2.0 m 47.72 81.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -178.09 95.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.21 125.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.25 -114.75 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.59 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.92 139.32 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' ' 70' ' ' VAL . 19.7 p -78.77 138.29 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.303 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.77 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' ' 40' ' ' CYS . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -78.4 -177.32 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.1 m120 -35.83 152.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -2.12 12.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -108.85 -7.62 15.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -100.9 -76.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 1.4 t 156.09 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.6 ' HB2' HD12 ' A' ' 96' ' ' LEU . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.987 HD12 ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 1.008 ' N ' HD21 ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.987 ' CE3' HD12 ' A' ' 82' ' ' ILE . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 78' ' ' TYR . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.867 ' O ' HD21 ' A' ' 140' ' ' LEU . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.742 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.611 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 119' ' ' VAL . 2.2 tm0? -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.849 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.742 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 132' ' ' PHE . . . . . 0.77 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 102' ' ' TYR . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.867 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.27 -41.28 97.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.62 136.04 11.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.716 HD22 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.768 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.808 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 65' ' ' GLY . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.892 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.905 ' HB2' HD12 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 90' ' ' LEU . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.949 ' CE3' HD12 ' A' ' 82' ' ' ILE . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' HD21 ' A' ' 140' ' ' LEU . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.716 ' CE2' HD22 ' A' ' 2' ' ' LEU . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.718 HG22 ' CB ' ' A' ' 120' ' ' ALA . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.785 ' CE1' HG23 ' A' ' 119' ' ' VAL . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.785 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.737 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.808 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 133' ' ' ARG . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.711 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 45.2 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB2' ' OE1' ' A' ' 128' ' ' GLU . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 66' ' ' VAL . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.485 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.645 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 47' ' ' VAL . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.761 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 80' ' ' LEU . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.683 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.773 ' HB3' HD21 ' A' ' 90' ' ' LEU . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.612 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 63' ' ' CYS . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' CB ' ' A' ' 78' ' ' TYR . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 ' CB ' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.607 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.6 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 121' ' ' LEU . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.744 ' OE1' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.719 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 132' ' ' PHE . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 43' ' ' MET . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.461 ' HE2' HD22 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 66' ' ' VAL . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 51' ' ' TYR . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.5 ' HB2' HD13 ' A' ' 91' ' ' LEU . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 47' ' ' VAL . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 68' ' ' CYS . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.94 HD12 ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 ' HD3' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 63' ' ' CYS . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.94 ' CE3' HD12 ' A' ' 82' ' ' ILE . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 90' ' ' LEU . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 78' ' ' TYR . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.49 ' O ' HD21 ' A' ' 140' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.43 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.455 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.455 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.843 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.461 HD22 ' HE2' ' A' ' 43' ' ' MET . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' TRP . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.825 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.604 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD21 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.899 HD12 ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.653 ' OD2' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE3' HD12 ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 78' ' ' TYR . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.556 ' O ' HD21 ' A' ' 140' ' ' LEU . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 3' ' ' PRO . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.918 ' CE1' HD23 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.642 ' CG ' HG23 ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.642 HG23 ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.918 HD23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 139' ' ' LEU . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 102' ' ' TYR . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 78' ' ' TYR . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.556 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 70' ' ' VAL . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.645 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.786 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLY . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.797 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 41' ' ' VAL . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CB ' ' CE2' ' A' ' 79' ' ' PHE . 17.7 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HE2' HD23 ' A' ' 139' ' ' LEU . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 69' ' ' LEU . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 90' ' ' LEU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.966 HD12 ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 63' ' ' CYS . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.966 ' CE3' HD12 ' A' ' 82' ' ' ILE . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB2' HD23 ' A' ' 90' ' ' LEU . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.8 mm100 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.886 ' O ' HD21 ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 8' ' ' TYR . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 48' ' ' VAL . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.786 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.411 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.645 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 102' ' ' TYR . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.667 HD23 ' HE2' ' A' ' 78' ' ' TYR . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.886 HD21 ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' CYS . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.698 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 119' ' ' VAL . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 91' ' ' LEU . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' SER . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 41' ' ' VAL . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.703 ' CD ' HD11 ' A' ' 139' ' ' LEU . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 96' ' ' LEU . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.944 HD12 ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.706 ' OD2' HD11 ' A' ' 91' ' ' LEU . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.706 HD11 ' OD2' ' A' ' 84' ' ' ASP . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE3' HD12 ' A' ' 82' ' ' ILE . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.718 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.709 HG22 ' CB ' ' A' ' 120' ' ' ALA . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' A' ' 119' ' ' VAL . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.559 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.559 HG23 ' CG ' ' A' ' 115' ' ' ASP . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.777 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 1.024 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.604 ' OE2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 133' ' ' ARG . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.703 HD11 ' CD ' ' A' ' 71' ' ' LYS . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 59' ' ' TRP . 12.9 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.797 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.826 ' HB3' ' HE1' ' A' ' 132' ' ' PHE . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.763 ' CD1' HD22 ' A' ' 2' ' ' LEU . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.702 ' HB3' HD12 ' A' ' 96' ' ' LEU . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.726 ' HB3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.847 HD12 ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.599 ' CB ' HD11 ' A' ' 91' ' ' LEU . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.847 ' CE3' HD12 ' A' ' 82' ' ' ILE . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 78' ' ' TYR . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.753 ' O ' HD21 ' A' ' 140' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 132' ' ' PHE . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' A' ' 52' ' ' ALA . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' ' 122' ' ' ASN . 1.0 OUTLIER -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.826 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.797 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 43' ' ' MET . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.5 mp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.536 ' CE ' HD11 ' A' ' 139' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.002 HG13 ' HB3' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG12 ' HD1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.69 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' HE3' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.446 HG22 ' OG1' ' A' ' 42' ' ' THR . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.843 ' HB2' HD12 ' A' ' 96' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.799 ' HE3' HD12 ' A' ' 82' ' ' ILE . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 78' ' ' TYR . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.891 ' O ' HD21 ' A' ' 140' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.539 ' O ' HD23 ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.435 HG22 ' HB1' ' A' ' 120' ' ' ALA . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.413 ' CA ' HG22 ' A' ' 119' ' ' VAL . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 1.002 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.876 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.789 HG21 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.743 HD13 ' CE1' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' SG ' ' A' ' 68' ' ' CYS . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.811 ' HE3' HD21 ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.88 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.829 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.552 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 42' ' ' THR . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.583 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 91' ' ' LEU . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 63' ' ' CYS . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.459 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.845 ' HB2' HD21 ' A' ' 121' ' ' LEU . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 109' ' ' PHE . 48.2 t-20 -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.829 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.88 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 133' ' ' ARG . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.811 HD21 ' HE3' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 66' ' ' VAL . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 70' ' ' VAL . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 90' ' ' LEU . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.614 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.853 HD13 ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.917 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.853 ' OE1' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 78' ' ' TYR . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.537 ' CG ' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.519 ' CZ ' ' OD1' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 120' ' ' ALA . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.635 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 12.0 t30 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' CG ' ' A' ' 132' ' ' PHE . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.698 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.588 HG13 HD13 ' A' ' 140' ' ' LEU . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.588 HD13 HG13 ' A' ' 136' ' ' VAL . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.779 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 2.6 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.727 ' OG1' HG22 ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' N ' HD13 ' A' ' 50' ' ' LEU . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.558 ' O ' HD12 ' A' ' 80' ' ' LEU . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.727 HG22 ' OG1' ' A' ' 42' ' ' THR . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.836 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 68' ' ' CYS . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.925 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 86' ' ' LYS . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.721 ' HD2' HG23 ' A' ' 85' ' ' ILE . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 91' ' ' LEU . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.925 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.742 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 21.2 tp60 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' LEU . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.904 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.779 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' A' ' 119' ' ' VAL . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.528 HG21 ' HA3' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.506 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 126' ' ' GLU . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 HD13 ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.836 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.9 mm? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.488 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 33.9 t80 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 139' ' ' LEU . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.527 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.805 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.9 ' HB2' HD12 ' A' ' 96' ' ' LEU . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.842 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.805 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 63' ' ' CYS . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.842 ' HE3' HD12 ' A' ' 82' ' ' ILE . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.925 ' HB3' HD11 ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 78' ' ' TYR . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 1.004 ' O ' HD21 ' A' ' 140' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.607 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.66 HG22 ' CB ' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.66 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.857 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 102' ' ' TYR . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.524 HD22 ' SD ' ' A' ' 43' ' ' MET . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.004 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 109' ' ' PHE . 4.5 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 70' ' ' VAL . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.448 ' HE2' ' CD ' ' A' ' 71' ' ' LYS . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.475 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD22 ' SD ' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 41' ' ' VAL . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' CD ' ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.905 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.933 HD12 ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.424 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.933 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' HD12 ' A' ' 90' ' ' LEU . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.668 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 1.039 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 112' ' ' PHE . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.526 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.522 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.039 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.491 HD23 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.592 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.692 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 17.2 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.907 ' SD ' HD12 ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 43' ' ' MET . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 139' ' ' LEU . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH2' HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.086 HD12 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 1.047 ' N ' HD21 ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 91' ' ' LEU . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.047 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 1.086 ' CE3' HD12 ' A' ' 82' ' ' ILE . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD12 ' HB3' ' A' ' 78' ' ' TYR . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.665 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.683 HG22 ' CB ' ' A' ' 120' ' ' ALA . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.665 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 133' ' ' ARG . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.507 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 68' ' ' CYS . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.783 ' HE3' ' HB1' ' A' ' 135' ' ' ALA . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 5.6 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.971 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.76 HG13 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.542 HG23 ' SG ' ' A' ' 68' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CB ' HD12 ' A' ' 96' ' ' LEU . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD23 ' HH2' ' A' ' 92' ' ' TRP . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.738 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.76 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 81' ' ' ARG . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 91' ' ' LEU . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.874 ' CE3' HD12 ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' O ' HD21 ' A' ' 140' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.613 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.783 ' HB1' ' HE3' ' A' ' 43' ' ' MET . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 102' ' ' TYR . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.687 HD11 ' SD ' ' A' ' 43' ' ' MET . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.648 ' HB3' HG11 ' A' ' 70' ' ' VAL . 84.1 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 70' ' ' VAL . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 68' ' ' CYS . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.435 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.876 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 41' ' ' VAL . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.71 ' CB ' HD12 ' A' ' 96' ' ' LEU . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.664 ' HD2' HD12 ' A' ' 90' ' ' LEU . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.971 HD12 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.971 ' CE3' HD12 ' A' ' 82' ' ' ILE . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD23 ' A' ' 80' ' ' LEU . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.589 ' HE1' ' HB1' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.859 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.589 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.464 ' CD2' HG12 ' A' ' 48' ' ' VAL . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 133' ' ' ARG . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.669 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 100' ' ' PHE . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.519 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.669 HG23 ' SG ' ' A' ' 68' ' ' CYS . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.755 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 65' ' ' GLY . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.495 ' O ' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.621 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.771 HG13 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.044 HD12 HD21 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 68' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.728 ' HB2' HD12 ' A' ' 96' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.923 HD12 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.771 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' SER . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.923 ' CE3' HD12 ' A' ' 82' ' ' ILE . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 78' ' ' TYR . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.773 ' O ' HD21 ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' CG ' HG23 ' A' ' 116' ' ' THR . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.604 ' HB2' HG12 ' A' ' 70' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 70' ' ' VAL . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.519 ' SD ' HD12 ' A' ' 139' ' ' LEU . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 66' ' ' VAL . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 49' ' ' GLN . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.651 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.788 ' CD1' HD12 ' A' ' 2' ' ' LEU . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.485 ' CB ' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.47 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.604 HG12 ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.692 ' CE2' HD21 ' A' ' 139' ' ' LEU . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD11 ' HZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.913 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.611 ' CB ' HD11 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.913 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.61 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.543 HD12 ' CB ' ' A' ' 78' ' ' TYR . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.878 ' O ' HD21 ' A' ' 140' ' ' LEU . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HE2' ' HD1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.485 ' CE2' ' HG2' ' A' ' 3' ' ' PRO . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.506 ' HD1' ' HE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.711 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 121' ' ' LEU . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.806 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.431 HG11 ' HB2' ' A' ' 102' ' ' TYR . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.878 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.798 ' O ' HG13 ' A' ' 70' ' ' VAL . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' GLY . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD21 ' HZ ' ' A' ' 112' ' ' PHE . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.952 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD22 ' CE ' ' A' ' 43' ' ' MET . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 41' ' ' VAL . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HD2' HD21 ' A' ' 139' ' ' LEU . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HE2' HD22 ' A' ' 139' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 1.016 ' HB3' HD21 ' A' ' 90' ' ' LEU . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.952 HG12 ' HB2' ' A' ' 67' ' ' ALA . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.607 ' OD2' HD11 ' A' ' 91' ' ' LEU . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.016 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' OD2' ' A' ' 84' ' ' ASP . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.908 ' CE3' HD12 ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 78' ' ' TYR . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' O ' HD21 ' A' ' 140' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 120' ' ' ALA . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 50' ' ' LEU . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.682 ' OD2' HG22 ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.682 HG22 ' OD2' ' A' ' 115' ' ' ASP . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.409 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.802 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.49 HG12 HD13 ' A' ' 140' ' ' LEU . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 78' ' ' TYR . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 65.6 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.635 ' HE3' HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.759 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 66' ' ' VAL . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.663 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 47' ' ' VAL . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 43' ' ' MET . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 41' ' ' VAL . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.621 ' CD ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CB ' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.113 HD12 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 90' ' ' LEU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.91 HD12 ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.605 ' CG ' HD11 ' A' ' 91' ' ' LEU . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 84' ' ' ASP . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.91 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 80' ' ' LEU . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.996 ' O ' HD21 ' A' ' 140' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.618 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.591 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' ' 116' ' ' THR . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' OD1' ' A' ' 115' ' ' ASP . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.618 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 102' ' ' TYR . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.621 HD11 ' CD ' ' A' ' 71' ' ' LYS . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.996 HD21 ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.592 HD23 ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HD2' HD23 ' A' ' 2' ' ' LEU . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.55 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' ' 70' ' ' VAL . 19.7 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.77 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' ' 40' ' ' CYS . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.6 ' HB2' HD12 ' A' ' 96' ' ' LEU . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.987 HD12 ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 1.008 ' N ' HD21 ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.987 ' CE3' HD12 ' A' ' 82' ' ' ILE . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 78' ' ' TYR . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.867 ' O ' HD21 ' A' ' 140' ' ' LEU . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.742 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.611 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.849 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.742 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . 0.77 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 102' ' ' TYR . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.867 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.716 HD22 ' CE2' ' A' ' 109' ' ' PHE . 80.0 mt -73.4 158.25 86.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.679 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.05 158.11 42.21 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.04 137.2 21.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.1 131.14 13.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 11.8 mt-10 -104.2 149.2 37.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.768 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 61.1 t80 -107.56 128.44 54.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -120.38 145.37 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.33 157.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.691 HG23 ' H ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -148.59 -91.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.045 . . . . 0.0 110.371 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.691 ' H ' HG23 ' A' ' 11' ' ' THR . 14.4 t -151.01 141.13 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -135.4 134.87 40.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 m -164.83 126.19 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.04 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 58.4 m-85 -110.81 142.16 25.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.5 Cg_endo -74.95 -35.76 3.0 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' CB ' ' OE1' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -70.02 -27.35 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -97.42 19.51 13.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 ' H ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -106.31 -21.32 13.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 31' ' ' SER . . . 67.81 9.89 7.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.22 156.69 38.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.92 102.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 65.54 141.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.06 176.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 mtt180 67.11 74.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.334 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.08 -179.91 48.82 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.16 103.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.976 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' H ' HD22 ' A' ' 19' ' ' LEU . . . 162.27 117.65 0.43 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.589 1.181 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.4 m 159.81 175.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.945 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -151.63 37.66 0.83 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -58.17 160.16 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 0.723 . . . . 0.0 109.998 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.59 -176.27 3.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -40.32 -82.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.475 ' C ' ' CD1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER 170.14 -161.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -157.97 -62.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -156.92 103.32 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 173.71 90.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -151.73 122.89 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' CG ' ' C ' ' A' ' 38' ' ' LYS . 9.9 mtmt -150.28 89.51 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -114.98 141.91 47.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.68 145.86 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.8 m -92.96 152.74 19.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -109.41 -71.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -136.35 167.14 21.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.1 p -133.94 129.52 36.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.808 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -145.24 132.39 20.44 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 65' ' ' GLY . 54.7 t -76.79 129.76 36.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 123' ' ' PHE . 0.9 OUTLIER -144.67 165.28 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -113.13 122.19 46.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -80.69 124.82 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 14.8 m-85 -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.22 127.4 45.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -61.81 83.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -65.51 167.54 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -52.3 177.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 51.24 22.4 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 m 49.17 82.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 108.262 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.73 104.69 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.459 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 35.8 m95 -50.51 147.76 4.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 107.978 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 t -141.02 111.43 6.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.57 142.77 43.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -112.42 -40.49 4.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -179.36 128.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.463 1.102 . . . . 0.0 108.24 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.05 166.94 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.494 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.16 -156.35 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 5.9 t -89.94 125.71 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.892 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.79 140.0 49.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.2 p -137.61 146.3 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 108.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.81 HD12 HD11 ' A' ' 80' ' ' LEU . 4.8 tt -95.56 115.03 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 40.1 t -98.88 145.8 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -134.1 131.89 39.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.9 m-20 -94.25 113.36 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.611 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -79.0 -46.24 1.72 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.95 -41.63 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' OE1' ' CB ' ' A' ' 17' ' ' SER . 1.6 mm-40 -76.17 -29.91 57.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 69.52 55.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.414 1.072 . . . . 0.0 110.347 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.579 ' OG ' ' CE2' ' A' ' 79' ' ' PHE . 3.8 p -156.89 164.81 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.905 ' HB2' HD12 ' A' ' 96' ' ' LEU . 12.7 m-85 -125.7 137.29 53.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.579 ' CE2' ' OG ' ' A' ' 77' ' ' SER . 93.2 m-85 -132.03 137.17 47.72 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.81 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -111.67 121.92 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 90' ' ' LEU . 3.4 mtt85 -135.34 153.37 51.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.949 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.6 mt -121.84 143.72 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.705 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.66 143.33 49.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 19.7 t0 -73.25 161.12 30.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.439 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -104.15 -10.7 9.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -111.7 -41.41 4.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.84 -13.31 27.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.44 42.98 7.45 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -133.04 172.45 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -68.73 126.06 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.52 -17.5 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.949 ' CE3' HD12 ' A' ' 82' ' ' ILE . 78.3 t90 -161.83 146.44 12.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.11 132.68 13.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.609 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.02 135.5 49.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.609 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 14.7 mt-10 -101.94 88.14 3.28 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.905 HD12 ' HB2' ' A' ' 78' ' ' TYR . 11.5 mt -41.75 149.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.083 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.89 161.23 25.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -40.19 157.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 40.26 63.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.647 ' O ' HD21 ' A' ' 140' ' ' LEU . 75.1 t80 -89.61 135.13 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.5 p -125.18 157.52 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 116.66 26.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -89.33 140.4 29.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.553 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.9 p -156.77 69.0 4.57 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -6.24 17.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.444 1.76 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.25 -173.68 2.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.89 -44.14 9.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.554 ' CD2' ' OD1' ' A' ' 122' ' ' ASN . 7.4 p90 -143.03 42.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.776 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.716 ' CE2' HD22 ' A' ' 2' ' ' LEU . 14.3 t80 -140.01 105.32 5.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 111.034 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 15.5 m170 -104.72 145.04 30.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.625 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.718 HG22 ' CB ' ' A' ' 120' ' ' ALA . 18.7 p -123.19 152.47 41.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.785 ' CE1' HG23 ' A' ' 119' ' ' VAL . 5.2 p90 -147.29 -179.51 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.768 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -92.57 124.41 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.73 176.87 44.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -41.69 -69.79 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.774 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 -1.0 3.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 89.9 m -129.71 160.14 34.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.359 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -85.06 135.41 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.785 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -137.97 146.74 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.718 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.01 157.8 35.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.39 136.84 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 28.3 t30 -127.75 118.81 24.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.737 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 40.9 m-85 -71.72 162.25 29.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.72 -30.05 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.24 154.25 39.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -73.36 -51.14 18.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.1 -49.08 67.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.241 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 11.3 mt-10 -54.56 -30.53 54.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.737 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -38.19 36.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -66.41 -45.14 80.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.01 -27.13 66.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.808 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -63.64 -56.56 14.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.84 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.49 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -64.05 -37.75 88.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.04 -51.01 62.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 42.5 t -54.82 -59.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.84 HG23 ' O ' ' A' ' 133' ' ' ARG . 69.6 p -50.3 -49.67 52.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.37 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -68.86 -47.19 66.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.647 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -61.25 -37.04 81.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.99 -45.54 92.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.434 1.084 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -41.6 99.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.342 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 144' ' ' GLN . 0.0 OUTLIER 41.01 -161.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 143' ' ' ARG . 6.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.28 126.15 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.485 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.92 165.88 30.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 111.078 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 135.62 19.31 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.544 1.812 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.92 134.64 18.21 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -111.14 136.02 20.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.99 119.5 5.68 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.711 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 45.2 t80 -101.77 129.05 47.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.21 140.04 33.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.61 163.06 21.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.77 -52.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -173.81 -64.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.412 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 12' ' ' THR . 0.0 OUTLIER 61.67 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.3 m -138.77 140.79 38.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' O ' ' CA ' ' A' ' 19' ' ' LEU . 43.2 m-85 -111.05 143.06 27.56 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.27 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.67 -15.09 25.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -153.12 56.87 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 19' ' ' LEU . 10.6 tp -80.17 -20.69 44.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.61 16.14 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -163.4 91.66 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -108.62 -61.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -156.29 68.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.2 p -172.74 168.64 5.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -55.96 15.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.74 100.48 2.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 t -110.4 -62.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 0.734 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.52 108.37 2.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.569 1.168 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.99 84.86 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.8 163.88 17.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.4 -57.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 110.084 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.535 ' HB3' ' CD2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -154.08 -62.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 17.1 p90 -159.78 164.15 34.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 99.56 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.9 90.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.11 55.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.0 -123.7 1.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 73.36 173.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.333 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 70.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.8 p -115.34 141.55 47.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.241 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 71' ' ' LYS . 7.5 p -109.02 151.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -105.61 115.15 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.616 1.197 . . . . 0.0 110.386 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.685 ' CE ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -66.41 -66.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 t -171.2 145.36 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -108.0 119.39 39.33 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.744 ' HB2' ' OE1' ' A' ' 128' ' ' GLU . . . -129.0 136.05 49.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 66' ' ' VAL . 78.5 t -74.79 123.1 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.6 165.33 18.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -113.69 124.37 52.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -79.88 129.61 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.365 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 9.5 m-85 -136.2 153.38 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.12 136.49 52.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -72.09 87.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' ALA . 59.9 m-20 -44.12 166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -8.08 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -98.87 12.81 34.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 55.1 m 61.34 45.15 8.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 108.262 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' TRP . 10.2 mmm -139.84 106.25 5.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.485 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 27.3 m95 -41.2 145.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 108.034 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.1 p -140.13 122.46 15.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.76 137.85 58.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 -42.5 4.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.645 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER 171.92 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 108.324 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.4 m -77.79 172.77 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.75 -153.61 24.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.758 HG22 HG22 ' A' ' 47' ' ' VAL . 10.2 t -100.3 128.77 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.761 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.33 153.96 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.516 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -138.49 135.84 35.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 80' ' ' LEU . 7.5 tt -103.66 109.19 20.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.68 154.77 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -143.11 115.74 8.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 75' ' ' GLN . 1.5 m-20 -72.69 130.19 39.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.537 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.3 t-20 -81.43 -50.39 0.93 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -75.02 -44.14 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.579 1.831 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -74.28 -2.48 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' GLN . 16.7 ttm180 35.33 54.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 p -152.61 150.04 29.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.058 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.683 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 3.1 m-30 -110.83 153.8 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.2 m-85 -142.94 127.72 18.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.57 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -113.41 110.38 20.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.773 ' HB3' HD21 ' A' ' 90' ' ' LEU . 14.5 mtm-85 -123.88 158.54 31.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 11.2 mt -122.66 142.71 38.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -122.93 143.28 50.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.612 ' OD2' HD11 ' A' ' 91' ' ' LEU . 5.5 t0 -74.99 155.51 37.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -105.64 -8.85 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.22 -41.08 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.78 -13.05 24.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.29 50.02 10.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -140.84 170.9 14.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.5 mt -68.23 127.29 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 63' ' ' CYS . 38.1 mt -111.93 -21.68 11.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.1 t90 -162.31 148.69 13.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 108.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.76 129.3 12.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.4 tt0 -126.06 135.43 51.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 21.4 tt0 -102.96 74.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD12 ' CB ' ' A' ' 78' ' ' TYR . 46.1 mt -34.35 146.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.426 ' CE1' ' CD1' ' A' ' 100' ' ' PHE . 1.5 p90 -119.85 161.1 21.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.589 1.181 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 144.8 11.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.64 61.56 1.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.572 ' CE2' HD22 ' A' ' 96' ' ' LEU . 22.8 t80 -102.77 145.39 29.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -125.45 156.18 34.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.417 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.19 121.14 38.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -84.79 158.96 20.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 60.4 p -174.64 64.91 0.27 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.934 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -8.28 19.87 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.479 1.778 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -175.57 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.72 -56.26 6.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.6 p90 -131.77 44.62 2.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 9.7 t80 -138.54 104.94 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -106.6 135.75 47.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.628 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 ' CB ' ' A' ' 120' ' ' ALA . 25.7 p -111.61 155.39 23.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HG23 ' A' ' 119' ' ' VAL . 54.8 p90 -165.49 168.65 16.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -90.11 120.37 31.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -99.07 115.4 5.3 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.1 t70 57.2 -88.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 0.738 . . . . 0.0 109.318 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.0 p -137.35 9.86 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.404 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 114' ' ' GLY . 1.5 p -128.65 152.13 48.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -81.36 126.45 31.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.533 HG23 ' CE1' ' A' ' 112' ' ' PHE . 15.4 m -137.69 150.55 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.607 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -126.17 155.02 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.6 HD11 ' CZ ' ' A' ' 123' ' ' PHE . 3.6 pp -119.01 149.49 41.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -132.06 109.65 10.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.6 ' CZ ' HD11 ' A' ' 121' ' ' LEU . 91.9 m-85 -64.87 161.84 17.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.61 22.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.09 152.41 48.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -75.67 -45.8 34.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.213 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.55 -50.14 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 110.223 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.744 ' OE1' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mm-40 -55.18 -29.91 58.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.1 -37.97 37.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -66.49 -45.07 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.8 -26.87 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.719 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -62.56 -57.3 11.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 102' ' ' TYR . 0.0 OUTLIER -64.51 -30.38 71.41 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -69.7 -44.31 70.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.17 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 132' ' ' PHE . 70.3 t -54.68 -61.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.4 p -52.45 -47.84 66.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.13 -42.91 70.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.421 1.075 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.685 HD12 ' CE ' ' A' ' 43' ' ' MET . 5.7 tt -68.72 -48.6 63.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.44 -35.02 73.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.1 -47.83 69.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -68.96 -41.91 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 38.95 43.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -104.2 158.71 31.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.614 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.99 163.65 34.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 137.83 22.26 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.398 1.736 . . . . 0.0 110.986 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 131.49 14.33 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.61 137.7 22.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 119.64 5.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 18.5 t80 -124.16 131.28 53.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.86 142.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.405 1.066 . . . . 0.0 109.227 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -39.53 125.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -132.71 164.81 25.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.0 t -75.32 134.96 40.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -132.99 146.85 52.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 142.54 45.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.958 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -99.59 146.16 31.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -42.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.4 p -60.89 -17.99 53.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.982 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -148.93 57.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -97.29 -21.06 17.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.07 13.76 9.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -60.75 117.75 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 176.03 75.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.123 . . . . 0.0 109.344 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -170.71 -61.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.2 m -46.82 -61.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -129.76 -57.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.98 -119.88 20.04 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.562 1.163 . . . . 0.0 111.058 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 119.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.14 59.65 4.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.8 p -115.42 170.66 8.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.95 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.67 -63.42 1.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m 58.73 112.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.31 166.36 16.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.397 1.06 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 53.29 91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.7 m -119.45 142.95 47.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.6 t80 45.98 92.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.76 116.42 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.381 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.06 93.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.62 160.95 3.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 67.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 74.5 m -86.47 142.0 28.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 71' ' ' LYS . 8.6 p -126.09 153.5 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.7 m -97.91 137.09 37.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.461 ' HE2' HD22 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -94.48 -70.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.4 145.0 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.8 p -111.95 133.75 53.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -140.01 144.89 37.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 66' ' ' VAL . 60.0 t -79.47 126.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.19 164.75 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -118.44 125.97 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD13 ' N ' ' A' ' 51' ' ' TYR . 1.1 tm? -79.56 120.4 23.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.52 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.2 m-30 -120.69 151.36 39.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -127.16 127.9 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -78.25 86.0 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.75 168.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.7 mtt180 -75.64 53.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -168.18 31.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 63.4 m 45.0 46.54 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 108.262 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.1 mmm -140.56 101.11 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 26.3 m95 -45.37 165.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 107.99 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 98.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.985 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CB ' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -54.27 134.45 44.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -112.11 -38.43 4.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.616 1.198 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.5 ' HB2' HD13 ' A' ' 91' ' ' LEU . 1.6 p -174.5 140.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.366 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.25 172.98 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.47 -144.98 10.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.416 1.072 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.687 HG22 HG22 ' A' ' 47' ' ' VAL . 15.4 t -105.66 130.86 56.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.623 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -102.99 162.06 13.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 14.1 p -143.84 135.09 25.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 108.326 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.63 112.17 23.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 40' ' ' CYS . 90.7 t -100.89 146.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -138.93 138.47 37.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.48 150.16 46.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.541 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -60.76 -50.35 85.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.97 -3.2 13.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.94 52.39 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.85 -14.36 15.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.4 p -168.97 134.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.723 ' HB3' HD12 ' A' ' 96' ' ' LEU . 41.8 m-85 -98.5 151.86 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -131.87 127.27 36.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 68' ' ' CYS . 28.0 tp -122.88 136.24 54.8 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.388 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -149.73 163.92 36.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.94 HD12 ' CE3' ' A' ' 92' ' ' TRP . 4.0 mt -126.32 142.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -123.85 151.9 42.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.4 t0 -72.94 161.5 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.432 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.0 tt -107.09 -11.3 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.07 -42.4 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.17 -12.94 25.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.88 49.95 8.9 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -133.34 167.26 20.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.33 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD11 ' HD3' ' A' ' 81' ' ' ARG . 1.3 mm? -64.67 125.97 26.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' A' ' 63' ' ' CYS . 23.5 mt -111.7 -23.02 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.349 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.94 ' CE3' HD12 ' A' ' 82' ' ' ILE . 83.2 t90 -162.29 139.67 8.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 90' ' ' LEU . 1.1 tt0 -145.71 124.16 12.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.592 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.48 135.37 49.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.7 mt-10 -98.36 86.69 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 78' ' ' TYR . 75.4 mt -39.49 146.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 1.2 p90 -122.94 161.7 23.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.16 148.54 6.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.77 46.4 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.49 ' O ' HD21 ' A' ' 140' ' ' LEU . 33.5 t80 -88.98 136.54 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 9.5 p -125.63 152.45 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.43 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.36 119.44 33.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -92.96 144.11 25.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.6 t -160.87 63.14 1.75 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.1 Cg_endo -75.05 -0.72 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.58 -176.28 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -75.89 -45.65 16.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -148.7 43.7 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.769 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.695 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 10.3 t80 -140.42 106.26 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.5 m170 -98.68 150.84 21.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.628 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 p -114.04 158.66 20.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.431 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.62 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 80.0 t80 -140.64 168.43 19.81 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.62 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -112.0 117.67 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -86.87 20.99 21.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' GLY . 3.3 t70 63.88 -70.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' GLY . 15.3 t -77.86 -44.26 27.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.374 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.434 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 1.8 t -129.01 159.93 34.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 108.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -98.45 123.22 42.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.77 146.19 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -117.45 165.25 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.43 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -130.44 137.05 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 8.7 t-20 -130.12 115.69 17.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.455 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 72.1 m-85 -71.88 162.24 29.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.28 -29.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -121.24 155.11 35.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -75.71 -51.35 12.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -54.46 -49.92 68.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.8 mt-10 -54.71 -30.57 56.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.455 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.91 -36.01 42.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -47.33 66.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.412 1.07 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -27.96 69.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.67 -56.42 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.843 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -64.09 -36.57 84.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -42.53 94.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.44 65.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 132' ' ' PHE . 65.1 t -54.76 -59.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 133' ' ' ARG . 60.2 p -50.68 -49.45 57.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.5 -39.37 64.55 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.461 HD22 ' HE2' ' A' ' 43' ' ' MET . 1.2 mp -70.65 -47.88 57.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.49 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.83 -33.64 74.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -70.66 -48.35 35.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 0.812 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.0 173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -76.98 177.51 2.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.94 160.94 39.71 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.32 25.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -74.99 129.49 12.4 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.47 1.773 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 151.96 40.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 119.1 5.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 7.5 t80 -107.63 108.15 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 p -99.04 135.36 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.91 165.39 5.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -121.27 -59.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.354 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.489 ' N ' HG22 ' A' ' 11' ' ' THR . 6.1 t -155.33 161.51 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.373 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.0 177.42 6.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m -152.23 119.63 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.2 m-85 -85.48 147.72 47.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' TYR . 18.2 Cg_endo -75.04 -29.79 7.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -76.23 -22.04 55.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.403 1.064 . . . . 0.0 109.981 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -140.06 52.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -89.65 14.23 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.251 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 73.21 18.84 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -66.71 -57.0 8.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -150.24 102.46 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -136.12 -59.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.43 118.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -64.35 164.22 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.62 92.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.21 151.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 110.057 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.98 -152.68 12.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.19 124.19 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.66 -62.05 0.65 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.32 90.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.426 0.721 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.54 173.87 6.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -53.46 -53.55 49.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.67 -58.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 47.79 96.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -163.33 151.2 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 114.34 1.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 126.72 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 100.61 5.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p -115.33 134.88 54.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 108.355 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -78.46 152.88 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m -107.03 130.58 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -84.85 -68.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -144.21 161.48 38.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.041 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -131.24 117.96 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -125.85 137.45 53.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.357 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.3 t -77.99 122.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -148.01 166.5 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.33 140.82 45.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.233 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -90.78 125.01 35.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 13.8 m-85 -137.36 149.66 47.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' TRP . . . -125.73 138.85 53.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -84.14 93.25 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -153.59 165.65 35.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 81.27 59.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' CYS . 1.3 m120 51.01 77.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.2 p 38.57 87.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -174.73 94.07 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 23.7 m95 -40.72 156.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 113.94 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.0 133.02 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.725 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -92.44 -41.77 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.825 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -172.98 -63.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.354 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 63' ' ' CYS . 0.9 OUTLIER 87.46 162.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.037 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.4 -152.18 24.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.604 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.5 t -90.07 120.23 38.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 0.795 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -112.03 145.75 39.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -145.43 160.11 42.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -105.99 129.36 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.7 m -116.55 154.09 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.73 52.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 1.2 m-20 -102.08 120.13 39.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.602 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -81.78 -46.5 1.04 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -43.07 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 76' ' ' ARG . 9.5 mp0 -84.74 1.16 47.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' GLN . 11.3 mtt85 33.41 66.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -164.92 176.63 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.812 ' HB2' HD12 ' A' ' 96' ' ' LEU . 83.1 m-85 -117.07 140.82 49.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 9.0 m-85 -125.42 141.72 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD21 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -119.41 110.04 16.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.526 ' NH2' ' CD2' ' A' ' 79' ' ' PHE . 2.6 mtt85 -122.37 142.61 50.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.899 HD12 ' CE3' ' A' ' 92' ' ' TRP . 41.0 mt -114.08 136.51 50.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.699 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.41 148.65 42.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.653 ' OD2' HD11 ' A' ' 91' ' ' LEU . 6.9 t0 -72.95 162.44 29.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.417 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.8 tt -102.33 -14.17 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -43.56 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.91 -12.35 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.41 6.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 19.3 mmtt -132.07 164.54 26.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -62.52 127.15 29.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 63' ' ' CYS . 24.9 mt -112.61 -17.9 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.899 ' CE3' HD12 ' A' ' 82' ' ' ILE . 47.4 t90 -161.95 148.07 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.975 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -150.33 132.63 15.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 41.1 tp60 -126.88 135.66 51.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' CE2' ' A' ' 79' ' ' PHE . 3.4 mt-10 -100.54 76.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' ' 78' ' ' TYR . 30.1 mt -31.37 141.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -122.42 161.93 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -49.8 148.64 2.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 61.5 60.92 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.556 ' O ' HD21 ' A' ' 140' ' ' LEU . 91.9 t80 -107.43 130.66 54.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.6 156.55 35.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.541 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -120.18 117.66 28.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.952 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -96.68 149.32 21.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.6 m -160.42 68.47 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -12.04 21.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.433 1.754 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.85 175.25 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.92 -57.27 18.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.1 p90 -136.75 47.44 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 111.014 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD2' ' HG2' ' A' ' 3' ' ' PRO . 6.6 t80 -138.81 105.88 5.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.616 1.197 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.602 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.8 m170 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.564 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -110.39 137.35 48.23 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.918 ' CE1' HD23 ' A' ' 121' ' ' LEU . 3.9 p90 -155.84 172.98 17.42 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.43 1.081 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.17 129.72 34.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 119' ' ' VAL . . . -111.63 109.2 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.642 ' CG ' HG23 ' A' ' 116' ' ' THR . 4.0 t70 57.57 -91.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 0.0 109.337 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.642 HG23 ' CG ' ' A' ' 115' ' ' ASP . 60.1 p -129.17 -0.34 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 110.432 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 114' ' ' GLY . 75.1 m -129.1 150.85 50.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 108.286 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 7.3 tp60 -68.4 139.15 55.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.511 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.2 m -138.01 148.17 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.6 140.63 51.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.918 HD23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -113.04 137.07 51.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 7.9 p-10 -123.8 113.51 18.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.602 ' CE2' ' CE1' ' A' ' 110' ' ' HIS . 50.9 m-85 -73.57 160.96 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.08 -29.07 27.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.218 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -121.09 154.3 36.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -75.32 -51.09 14.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.637 1.211 . . . . 0.0 110.338 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -54.44 -49.66 69.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.6 mt-10 -54.87 -30.57 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.522 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.14 -35.67 41.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -69.42 -46.38 66.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.71 -27.49 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.788 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -66.08 -56.52 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -63.06 -29.01 70.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.52 -43.6 66.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.443 ' O ' HD13 ' A' ' 139' ' ' LEU . . . -64.02 -46.64 83.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.44 HG11 ' HB2' ' A' ' 102' ' ' TYR . 31.8 t -55.21 -53.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.7 p -62.28 -43.24 99.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 -37.52 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.704 HD23 ' CE1' ' A' ' 78' ' ' TYR . 7.2 mp -76.87 -48.46 18.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.556 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -62.2 -25.11 67.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -77.48 -48.64 7.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -42.59 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.442 0.731 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 57.35 93.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.348 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -86.21 -178.92 1.24 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 163.78 34.69 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.91 136.35 20.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.786 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -74.93 129.61 12.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -90.61 155.34 45.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.81 5.81 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 3.5 t80 -96.12 118.93 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.76 144.62 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.4 153.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -141.9 -70.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.639 ' N ' HG22 ' A' ' 11' ' ' THR . 62.2 m -155.01 -67.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.386 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' ' OH ' ' A' ' 8' ' ' TYR . 1.9 mmmm 62.39 16.07 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' HB2' HG22 ' A' ' 12' ' ' THR . 69.6 m -78.41 133.43 37.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' CE1' ' O ' ' A' ' 13' ' ' LYS . 13.9 m-85 -105.21 146.76 33.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -31.57 6.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.818 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.7 t -69.5 -34.8 74.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -127.09 57.41 1.47 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -97.0 11.1 37.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.8 18.37 6.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -55.06 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.425 1.078 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.83 158.64 15.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.1 175.25 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.8 m 61.54 124.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.66 162.38 18.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.89 176.51 23.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.4 p -173.32 165.76 4.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.28 144.72 5.77 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.1 170.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.23 -122.35 4.1 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.19 56.46 1.61 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.593 0.819 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.93 94.5 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -168.17 107.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.26 76.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.049 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 42.83 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.81 79.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.81 -130.75 5.9 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 66.4 124.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.39 64.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.78 142.19 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 108.267 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 70' ' ' VAL . 62.7 t -120.63 140.26 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.8 m -94.65 150.1 20.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.645 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 1.2 mmm -107.28 -63.17 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.68 169.69 22.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.3 p -133.35 128.89 36.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.786 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -138.93 130.07 26.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 65' ' ' GLY . 78.5 t -75.72 124.38 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.23 165.46 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.587 1.179 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CG ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -112.33 116.63 30.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.65 125.41 29.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 28.0 m-85 -121.47 155.64 34.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -124.95 120.88 32.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.547 1.154 . . . . 0.0 109.402 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -59.18 84.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 58' ' ' MET . 8.9 t0 -61.87 159.66 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -47.61 173.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 m120 51.64 22.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.448 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 68.4 m 53.3 86.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 108.26 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.0 mmm -163.5 98.56 0.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 37.2 m95 -44.12 147.12 0.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -138.34 109.3 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -55.32 136.22 49.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -106.72 -42.27 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.234 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.797 ' HB3' HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 168.75 119.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 108.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CG ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -95.36 173.85 7.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 155.64 -153.07 24.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.581 1.175 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.59 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 2.4 t -94.48 119.72 42.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.415 0.715 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.806 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -110.5 132.99 53.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -128.2 147.27 50.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.285 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HD11 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -102.01 108.31 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 41' ' ' VAL . 56.0 t -103.69 132.72 49.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.529 1.143 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.4 113.53 24.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' A' ' 73' ' ' ASN . 17.7 t70 -86.25 94.25 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 72' ' ' ASP . 25.1 m-80 60.89 144.96 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -2.95 13.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.62 -62.73 1.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -82.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.261 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 p 172.02 -174.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.667 ' HE2' HD23 ' A' ' 139' ' ' LEU . 23.6 m-85 -105.77 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 78' ' ' TYR . 24.6 m-85 -148.09 129.17 14.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD11 HD12 ' A' ' 69' ' ' LEU . 3.1 mt -116.98 137.05 52.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.595 ' HD2' HD21 ' A' ' 90' ' ' LEU . 14.4 mtm180 -155.09 162.89 40.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.966 HD12 ' CE3' ' A' ' 92' ' ' TRP . 5.2 mt -129.2 144.1 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.7 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.43 150.4 41.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.08 . . . . 0.0 110.971 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 40.0 t0 -86.83 132.61 33.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.6 tt -88.47 16.61 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -112.71 -43.51 3.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -113.26 -15.17 12.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 69.1 32.58 73.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.61 1.194 . . . . 0.0 111.063 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -113.72 168.33 9.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.65 HD23 ' HB2' ' A' ' 93' ' ' GLU . 0.4 OUTLIER -73.11 134.8 44.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 63' ' ' CYS . 27.3 mt -112.55 -19.36 12.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.966 ' CE3' HD12 ' A' ' 82' ' ' ILE . 66.6 t90 -161.03 145.44 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB2' HD23 ' A' ' 90' ' ' LEU . 10.2 tt0 -152.59 124.35 7.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.8 mm100 -128.22 135.31 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.8 mt-10 -90.93 79.43 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 81.7 mt -38.68 136.14 0.76 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' O ' ' O ' ' A' ' 98' ' ' ASN . 0.4 OUTLIER -124.28 156.96 36.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.161 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.0 OUTLIER 47.73 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -53.99 -24.99 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.886 ' O ' HD21 ' A' ' 140' ' ' LEU . 9.7 t80 56.64 148.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 156.32 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.542 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -120.41 119.99 34.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.035 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.39 151.79 21.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 t -162.61 75.4 2.07 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.002 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -15.68 20.82 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -110.43 -172.38 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.89 -53.74 5.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.431 1.082 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -130.01 44.13 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 0.721 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 120' ' ' ALA . 15.2 t80 -140.51 104.75 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 6.3 m170 -100.15 136.02 40.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.651 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.2 p -104.96 151.35 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.415 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 113' ' ' ALA . 55.0 t80 -145.61 169.32 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . . . -90.92 118.22 30.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' O ' ' CE2' ' A' ' 8' ' ' TYR . . . -84.46 -176.31 50.99 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.2 OUTLIER -40.3 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 t -124.96 -2.91 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.06 157.53 41.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.27 131.29 41.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.61 148.5 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 162.54 25.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 0.5 OUTLIER -134.01 136.59 44.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -125.81 118.4 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 48' ' ' VAL . 43.2 m-85 -77.33 162.12 27.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.03 -35.31 21.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -113.57 152.43 30.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.51 -51.27 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 131' ' ' LYS . 0.7 OUTLIER -53.86 -49.97 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 3.5 mt-10 -52.88 -31.81 41.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -77.33 -36.63 53.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -74.85 -31.22 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 127' ' ' GLU . 8.3 mmmt -77.27 -27.7 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.115 . . . . 0.0 109.227 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.786 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -66.95 -56.47 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -61.2 -28.73 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.411 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 3.3 mtpt -72.13 -45.12 61.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.645 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -62.06 -43.55 98.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 102' ' ' TYR . 2.6 t -63.44 -53.57 43.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 133' ' ' ARG . 19.6 p -54.96 -47.49 74.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -44.46 75.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.667 HD23 ' HE2' ' A' ' 78' ' ' TYR . 2.1 mp -70.8 -45.75 64.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.332 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.886 HD21 ' O ' ' A' ' 100' ' ' PHE . 4.5 mp -60.96 -30.53 70.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.24 -41.69 59.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . 6.9 mtt180 -63.56 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' ARG . 9.6 ptp180 37.38 51.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.621 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.1 mm? -63.26 143.35 97.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 164.12 33.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.561 1.822 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 137.68 22.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.62 131.69 21.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.72 8.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.542 1.812 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -97.55 141.22 30.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.34 144.93 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' HG22 ' A' ' 11' ' ' THR . 1.0 OUTLIER -81.31 -165.83 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 10' ' ' GLN . 5.1 t 45.2 -170.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.508 HG22 ' C ' ' A' ' 11' ' ' THR . 3.5 t 45.98 58.12 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -160.65 137.31 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -152.18 150.06 29.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 52.2 m-85 -106.79 151.62 40.59 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 -40.65 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -62.1 -31.95 72.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -127.18 57.61 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -100.13 9.7 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.48 16.83 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -36.69 53.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -159.72 157.81 30.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.43 1.081 . . . . 0.0 109.366 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.0 -63.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.06 83.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 112.96 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.97 -168.95 42.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 p -96.9 155.95 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.98 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.39 67.82 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.02 129.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.05 -99.49 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t 63.1 154.74 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.434 0.726 . . . . 0.0 110.046 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.3 tp -125.45 70.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -172.31 167.64 5.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.6 t -140.32 150.61 44.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -146.25 -53.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.615 1.197 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.25 -78.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.23 54.34 2.3 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.96 144.72 47.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 0.722 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -167.02 -177.87 3.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.454 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 30.2 p -61.81 142.54 57.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.703 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.5 p -114.97 154.39 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 16.1 m -102.08 140.29 36.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.687 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.54 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.996 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' CYS . 3.8 t -149.43 169.66 20.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.86 124.7 30.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.728 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -134.93 137.47 43.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.369 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.024 HG13 ' HB3' ' A' ' 124' ' ' ALA . 2.2 p -75.22 129.01 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 0.8 OUTLIER -148.63 166.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -112.14 127.45 55.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -79.67 123.64 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.698 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.6 m-85 -123.47 158.31 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 119' ' ' VAL . . . -125.45 126.04 44.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -76.33 92.43 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ALA . 4.0 t70 -41.15 161.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -51.03 69.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.9 t-20 -67.67 -68.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 2.3 p 159.16 81.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mtp -164.79 92.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 35.9 m95 -42.31 140.27 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.8 t -129.59 103.84 7.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 127.27 29.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.96 -41.77 5.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 91' ' ' LEU . 9.9 p 175.59 153.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.269 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.27 163.58 21.35 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.25 -164.73 36.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.579 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 3.5 t -89.48 125.88 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.66 139.85 49.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.349 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' SER . 28.1 p -131.59 144.93 51.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 108.287 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -94.43 115.59 27.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 41' ' ' VAL . 92.1 t -108.11 143.19 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.703 ' CD ' HD11 ' A' ' 139' ' ' LEU . 2.6 ptmt -135.07 127.9 31.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 127.8 33.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -79.63 -51.54 1.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.8 mp0 -74.45 -4.16 34.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER 36.88 54.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.0 t -152.42 154.54 35.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.537 ' CB ' HD12 ' A' ' 96' ' ' LEU . 19.6 m-85 -105.69 154.94 19.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 42.1 m-85 -147.97 128.45 14.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.73 119.97 40.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HD3' ' CG ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -127.59 149.18 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.944 HD12 ' CE3' ' A' ' 92' ' ' TRP . 16.4 mt -125.28 138.83 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.718 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -114.86 140.95 48.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.706 ' OD2' HD11 ' A' ' 91' ' ' LEU . 12.0 t0 -72.22 158.43 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.224 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 16.3 tt -110.06 -7.45 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -111.86 -31.73 6.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -13.35 14.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 48.6 50.56 24.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -142.05 179.98 6.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -72.29 124.26 24.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.706 HD11 ' OD2' ' A' ' 84' ' ' ASP . 9.7 mt -113.83 -12.5 12.71 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.944 ' CE3' HD12 ' A' ' 82' ' ' ILE . 69.6 t90 -163.19 148.69 11.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.039 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.718 ' HB2' HD11 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -151.69 126.11 9.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.622 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.85 135.58 50.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.355 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.585 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 13.0 mt-10 -103.77 79.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.633 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 20.6 mt -39.69 154.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.9 OUTLIER -120.62 161.43 21.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -52.04 148.07 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.25 61.29 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.633 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 62.0 t80 -97.49 144.49 27.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.85 156.36 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.439 ' O ' ' NH1' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -120.39 121.22 38.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.997 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -92.89 154.86 17.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.478 ' OG ' ' CD2' ' A' ' 110' ' ' HIS . 34.1 t -168.87 64.75 0.58 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.84 179.0 4.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.13 -49.95 36.98 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -143.26 46.0 1.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.621 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 17.3 t80 -140.28 104.64 4.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.478 ' CD2' ' OG ' ' A' ' 104' ' ' SER . 9.7 m170 -99.47 150.03 22.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.709 HG22 ' CB ' ' A' ' 120' ' ' ALA . 10.4 p -128.12 152.31 48.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.831 ' CE1' HG23 ' A' ' 119' ' ' VAL . 7.6 p90 -159.16 -179.79 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.58 45.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -118.45 121.4 5.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.559 ' CG ' HG23 ' A' ' 116' ' ' THR . 5.0 t70 50.48 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.796 . . . . 0.0 109.246 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.559 HG23 ' CG ' ' A' ' 115' ' ' ASP . 72.8 p -134.39 8.21 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.467 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 p -128.07 145.63 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.294 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.14 123.56 30.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.246 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.831 HG23 ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -128.35 148.84 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.709 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -117.6 161.54 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.777 HD22 ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -125.77 139.92 53.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.6 t-20 -123.63 106.0 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -61.96 162.07 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.155 . . . . 0.0 111.049 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 1.024 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -88.28 -31.22 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.5 152.32 36.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -76.51 -51.64 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -54.65 -51.1 66.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.604 ' OE2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -53.23 -34.25 56.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.07 71.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 1.167 . . . . 0.0 109.357 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -31.28 62.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 12.4 mmtt -77.49 -33.15 54.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -60.42 -57.19 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -59.24 -35.33 73.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.83 -51.99 59.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.35 -61.57 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.18 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 133' ' ' ARG . 76.2 p -50.81 -49.82 57.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.79 -40.8 69.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.703 HD11 ' CD ' ' A' ' 71' ' ' LYS . 7.1 tt -69.5 -47.92 62.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.605 1.19 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -61.35 -36.13 79.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.38 -47.95 48.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -42.14 94.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.29 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? 62.43 98.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.763 HD22 ' CD1' ' A' ' 59' ' ' TRP . 12.9 mt -74.46 126.29 88.95 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.3 Cg_endo -74.94 165.5 31.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.06 136.16 19.92 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.03 133.78 16.95 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.416 1.746 . . . . 0.0 110.97 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -104.05 149.53 37.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 119.51 5.67 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.567 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 4.5 t80 -92.07 132.63 36.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.7 p -128.3 136.11 60.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . 2.2 mm-40 -175.91 168.42 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 12' ' ' THR . 5.9 t -120.21 -50.9 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.453 ' N ' HG23 ' A' ' 11' ' ' THR . 8.8 t -172.38 140.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 162.85 13.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -117.37 139.68 50.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.3 m-85 -110.11 145.91 33.09 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 -44.46 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.434 1.755 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.1 p -60.48 -35.26 75.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -116.6 53.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -103.74 -19.36 14.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.47 17.41 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.46 151.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.69 92.4 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -177.76 154.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.19 173.12 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 62.59 140.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.75 -146.77 16.47 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.474 1.109 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.49 160.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 0.811 . . . . 0.0 110.065 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.45 64.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.67 120.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.36 64.97 4.17 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m 48.48 83.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.8 52.27 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.24 102.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.7 79.86 1.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -99.56 -52.63 3.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.7 tp 64.89 108.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -38.13 126.55 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.404 1.065 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -50.64 -62.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.4 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.91 146.95 2.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.05 141.75 57.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 108.262 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.91 152.69 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.9 m -110.58 139.34 45.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.797 ' CE ' ' HB1' ' A' ' 135' ' ' ALA . 0.0 OUTLIER -90.46 -71.34 0.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 0.0 111.024 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t -148.25 168.83 21.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.953 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 p -135.27 121.29 19.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.826 ' HB3' ' HE1' ' A' ' 132' ' ' PHE . . . -141.76 128.12 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.1 t -65.21 119.92 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -128.57 165.21 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.624 1.202 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 122' ' ' ASN . 71.7 mt-30 -117.29 120.91 39.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.56 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -81.36 122.24 27.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' N ' HD13 ' A' ' 50' ' ' LEU . 7.1 m-85 -138.37 151.9 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -125.85 135.75 52.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . -69.07 89.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' ALA . 58.5 t0 -38.78 146.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 55' ' ' ARG . 3.2 ptp180 -55.66 -18.45 7.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -97.58 31.1 2.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.233 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 t 49.09 88.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 108.35 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.3 mtp 170.16 106.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.763 ' CD1' HD22 ' A' ' 2' ' ' LEU . 19.3 m95 -40.82 146.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 107.986 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' ALA . 1.4 m -132.45 119.28 20.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -63.99 129.68 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -109.51 -42.02 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.72 108.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.292 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 17.2 m -95.35 174.88 6.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.77 -152.79 22.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 21.9 t -88.88 123.8 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -115.89 146.16 42.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.5 p -143.53 149.53 37.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.25 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.67 108.86 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.49 138.63 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.56 119.24 14.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.535 ' OD1' ' CE1' ' A' ' 79' ' ' PHE . 7.7 p-10 -88.85 99.79 12.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 62.0 142.98 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -3.03 13.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -95.96 -58.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 78' ' ' TYR . 9.4 t 169.11 -178.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.702 ' HB3' HD12 ' A' ' 96' ' ' LEU . 20.2 m-85 -103.44 169.92 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 72' ' ' ASP . 41.4 m-85 -151.22 139.04 19.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.599 HD12 HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -118.88 125.98 50.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.726 ' HB3' HD11 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.32 156.83 48.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.336 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.847 HD12 ' CE3' ' A' ' 92' ' ' TRP . 46.6 mt -129.98 137.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.91 146.3 47.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.603 1.189 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.599 ' CB ' HD11 ' A' ' 91' ' ' LEU . 13.5 t0 -74.23 161.84 29.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.9 tt -106.09 -11.29 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.17 -42.3 3.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.23 -12.8 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.38 49.79 6.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -137.66 170.98 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.4 OUTLIER -70.19 125.01 25.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.0 mt -112.18 -19.92 12.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.847 ' CE3' HD12 ' A' ' 82' ' ' ILE . 80.3 t90 -161.36 145.76 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 107.985 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.58 132.48 17.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.599 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.04 135.64 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 7.3 mt-10 -97.88 82.0 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 78' ' ' TYR . 97.0 mt -39.78 130.63 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.18 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -123.25 161.62 24.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.89 151.27 8.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.76 46.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.216 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.753 ' O ' HD21 ' A' ' 140' ' ' LEU . 27.1 t80 -103.27 131.85 49.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -125.47 157.38 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.406 ' HH ' ' HD2' ' A' ' 132' ' ' PHE . 0.1 OUTLIER -120.14 117.96 29.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.95 131.96 41.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.576 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 18.6 p -148.0 63.82 7.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -75.02 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -35.35 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.239 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 108.62 -55.42 0.51 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.489 ' HA ' ' CB ' ' A' ' 129' ' ' ALA . 0.1 OUTLIER -105.67 6.59 32.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 0.786 . . . . 0.0 110.965 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 7.0 t80 -137.91 104.84 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 7.2 m170 -99.89 146.95 26.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.16 144.14 37.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 48.4 t80 -135.67 168.27 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -130.45 117.42 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.7 -160.84 26.77 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -40.89 -64.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.1 t -147.39 18.39 1.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 t -128.07 131.67 49.08 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 1.6 tp-100 -81.58 122.22 27.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.477 HG12 ' HB2' ' A' ' 52' ' ' ALA . 29.1 m -127.2 147.74 32.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB1' ' CE1' ' A' ' 109' ' ' PHE . . . -115.75 166.03 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.93 132.78 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.618 HD22 ' N ' ' A' ' 122' ' ' ASN . 1.0 OUTLIER -122.2 117.82 27.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 66.7 m-85 -76.18 159.1 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.21 -41.78 66.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.236 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.35 161.04 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 11.2 tt0 -75.8 -51.34 12.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -52.83 -49.44 65.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 8.2 mt-10 -54.73 -28.49 48.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.56 -38.54 40.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -65.72 -46.25 79.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.3 -26.92 66.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.826 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -62.73 -56.64 15.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.057 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -34.67 78.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -42.1 95.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.178 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.797 ' HB1' ' CE ' ' A' ' 43' ' ' MET . . . -64.36 -49.69 70.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 140' ' ' LEU . 54.2 t -54.37 -55.85 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.7 p -55.86 -47.26 77.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.397 1.061 . . . . 0.0 110.441 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -37.03 70.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 43' ' ' MET . 3.1 mp -74.3 -46.68 39.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -62.34 -34.75 77.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -66.95 -47.14 67.4 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -44.21 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.8 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' GLN . 3.3 mmm180 -46.65 136.43 7.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.9 tp60 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 3.5 mp -63.76 143.89 97.99 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.673 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.03 163.47 35.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 136.91 21.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.31 16.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.96 153.98 38.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.85 5.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.456 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 14.0 t80 -92.76 121.23 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.79 127.82 75.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' C ' HG23 ' A' ' 11' ' ' THR . 8.6 pm0 -76.11 154.48 35.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 10' ' ' GLN . 49.0 p -150.4 -53.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.442 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -168.23 143.67 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.4 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.19 153.6 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 p -169.14 145.39 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.603 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 44.4 m-85 -110.49 144.01 29.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.414 1.744 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -62.28 -34.82 77.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.92 59.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.2 tp -101.93 -21.09 14.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 70.64 15.93 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 43.14 91.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -94.11 154.84 17.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -39.54 -63.32 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.4 m 43.52 66.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.35 88.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 110.24 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.95 134.96 3.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.83 91.25 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.38 171.11 14.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.1 m 46.09 93.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 0.758 . . . . 0.0 110.045 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.08 65.85 3.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -147.58 162.07 39.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.33 -79.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.41 88.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.385 1.053 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t -135.79 125.37 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.996 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.73 134.17 35.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.32 80.3 5.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.17 127.17 5.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 82.61 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -145.64 99.61 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 73.7 m -73.15 142.28 47.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' VAL . 94.5 t -126.71 146.44 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 70' ' ' VAL . 55.4 m -114.26 143.95 44.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.536 ' CE ' HD11 ' A' ' 139' ' ' LEU . 20.3 mtm -119.6 -55.44 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.4 t -99.14 172.81 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.3 p -178.41 79.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.876 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -112.33 166.9 10.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.002 HG13 ' HB3' ' A' ' 124' ' ' ALA . 1.7 p -93.65 126.36 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG12 ' HD1' ' A' ' 123' ' ' PHE . 0.8 OUTLIER -140.74 165.35 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 12.0 mt-30 -125.47 121.96 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.84 126.57 30.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.58 157.85 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.09 119.05 27.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.383 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -65.67 89.34 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -45.8 169.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -69.44 -28.3 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -92.87 32.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 91.4 m 42.6 72.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 108.272 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -155.4 90.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.69 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 27.5 m95 -40.1 145.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 108.003 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.05 116.92 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 121.94 16.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.97 -38.86 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -176.03 104.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 1.108 . . . . 0.0 108.273 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -101.82 170.71 7.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.46 1.1 . . . . 0.0 109.992 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.64 -145.84 10.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 23.1 t -105.61 131.46 54.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.45 161.57 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 83' ' ' PHE . 13.5 p -149.84 142.35 24.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 108.319 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD22 ' HE3' ' A' ' 43' ' ' MET . 0.3 OUTLIER -94.98 108.39 20.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.446 HG22 ' OG1' ' A' ' 42' ' ' THR . 69.1 t -99.15 132.91 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 0.0 OUTLIER -123.34 115.28 21.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' HB3' ' CB ' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -70.53 141.61 51.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.8 OUTLIER -78.15 -49.72 1.87 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.99 -43.29 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' CB ' ' HB3' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -69.35 -28.64 66.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 61.2 13.52 4.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.227 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -111.22 171.43 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.973 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.843 ' HB2' HD12 ' A' ' 96' ' ' LEU . 60.2 m-85 -111.61 149.07 32.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -127.38 130.99 50.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -97.56 111.29 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -129.1 138.38 51.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.243 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.799 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.6 mt -115.93 133.31 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.381 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -115.91 149.24 39.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 16.8 t0 -72.17 161.1 31.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.449 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 11.0 tt -105.91 -10.35 10.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.76 -41.09 4.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -13.23 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.16 50.04 7.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -136.83 170.94 15.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -65.5 122.9 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 91' ' ' LEU . 13.7 mt -113.31 -12.31 13.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.799 ' HE3' HD12 ' A' ' 82' ' ' ILE . 12.9 t90 -162.26 148.65 13.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 108.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -139.95 127.7 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.598 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 47.2 tp60 -127.21 135.59 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.603 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 tt0 -112.35 76.11 0.96 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.221 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 78' ' ' TYR . 53.3 mt -35.75 151.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 1.5 p90 -120.44 161.85 20.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.055 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -47.07 138.08 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 63.65 58.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.891 ' O ' HD21 ' A' ' 140' ' ' LEU . 24.3 t80 -85.87 136.04 33.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.15 158.51 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.789 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -118.58 114.19 22.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -83.12 119.86 25.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.365 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.5 t -131.84 82.61 59.64 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.161 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -14.49 21.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.54 -168.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.75 -20.54 18.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -144.11 22.83 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 110.959 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.673 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 2.9 t80 -141.23 104.64 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.539 ' O ' HD23 ' A' ' 121' ' ' LEU . 9.9 m170 -103.59 143.44 32.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.435 HG22 ' HB1' ' A' ' 120' ' ' ALA . 52.6 p -123.39 162.78 22.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 10.6 p90 -164.67 -176.97 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.623 1.202 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -93.29 135.54 34.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.203 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.413 ' CA ' HG22 ' A' ' 119' ' ' VAL . . . -91.35 -175.48 43.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.51 1.132 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.87 -68.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.8 p -130.17 -4.27 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 29.1 p -129.45 159.79 35.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.105 . . . . 0.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.456 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 3.4 tp60 -76.81 137.59 39.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.283 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 3.2 m -139.22 156.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.69 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -131.49 161.06 33.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -124.44 137.48 54.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 59.0 t-20 -127.0 117.95 23.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.708 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 65.7 m-85 -74.6 152.89 39.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 1.002 ' HB3' HG13 ' A' ' 47' ' ' VAL . . . -73.8 -40.73 63.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.597 1.186 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -115.15 159.15 21.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.93 -51.49 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 0.4 OUTLIER -53.55 -50.56 65.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 46' ' ' ALA . 10.5 mt-10 -51.81 -32.66 32.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.443 1.089 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.708 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.13 -41.64 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.67 -33.86 75.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.233 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 5.0 mmmt -77.32 -29.45 53.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.876 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.45 -56.34 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 137' ' ' THR . 1.1 ttt180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.94 80.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.54 -54.51 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.789 HG21 ' CE2' ' A' ' 102' ' ' TYR . 54.8 t -51.18 -60.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.0 p -49.47 -49.91 43.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.84 -39.19 65.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.235 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.743 HD13 ' CE1' ' A' ' 78' ' ' TYR . 11.4 mt -70.45 -44.65 67.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.891 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -63.95 -38.56 91.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.48 -48.82 74.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 143' ' ' ARG . 2.4 mtp180 -64.01 -41.39 97.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 142' ' ' ARG . 2.8 ttm180 38.89 84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.668 ' CD1' ' CE2' ' A' ' 109' ' ' PHE . 4.4 mm? -69.5 128.33 92.28 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.1 Cg_endo -75.03 165.74 30.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 135.86 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.433 1.754 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -74.93 131.74 14.71 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.8 148.04 34.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.13 5.95 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.36 125.57 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 p -99.09 144.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.81 137.91 37.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.16 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -150.27 154.62 38.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 t -85.55 122.97 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.71 143.65 44.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.7 m -130.56 127.82 39.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.9 m-85 -102.38 144.17 28.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.96 -44.31 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.426 1.751 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.2 p -60.78 -39.77 90.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.7 48.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -101.96 13.39 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.93 16.01 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.21 50.88 3.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.209 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 46.11 76.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.47 148.77 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.89 92.5 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -57.36 2.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.28 60.58 4.55 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.2 t -160.32 -59.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.743 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.91 -162.5 12.83 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.558 1.161 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 p 59.65 113.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.75 -167.2 34.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -130.33 158.47 39.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.978 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tp -154.89 147.48 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -156.12 146.67 21.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 p -82.15 116.96 21.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -122.93 -51.29 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.72 -59.36 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.02 176.1 30.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.28 138.39 50.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 0.732 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -140.9 129.9 23.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 26.4 p -103.97 142.1 35.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.6 154.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.586 HG23 ' SG ' ' A' ' 68' ' ' CYS . 15.1 m -93.39 140.53 29.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.811 ' HE3' HD21 ' A' ' 139' ' ' LEU . 9.6 mtp -104.59 -66.64 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 t -150.59 150.87 31.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 p -129.22 118.18 21.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.88 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -131.49 144.02 50.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.829 ' CG1' ' HB3' ' A' ' 124' ' ' ALA . 2.3 p -69.21 124.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -140.64 159.61 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 0.7 OUTLIER -120.07 126.81 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.39 124.19 27.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 1.148 . . . . 0.0 109.237 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.1 m-85 -133.89 151.2 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.401 1.063 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.5 132.34 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.17 87.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -53.55 174.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' CYS . 0.1 OUTLIER -59.54 157.32 11.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER 66.89 -72.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' ARG . 1.7 p 164.72 109.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 108.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 168.82 89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ3' ' CB ' ' A' ' 120' ' ' ALA . 24.8 m95 -42.56 150.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.26 102.74 4.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -57.04 135.42 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -105.62 -39.28 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.552 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 173.77 103.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.287 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 1.5 p -84.1 178.51 7.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.02 -146.42 12.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.57 1.169 . . . . 0.0 110.997 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.57 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 6.0 t -105.52 133.2 50.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.494 0.761 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -106.59 156.62 18.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 42' ' ' THR . 1.1 t -145.34 136.24 24.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 108.316 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -94.66 112.11 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 40' ' ' CYS . 93.1 t -99.62 143.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' CE2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -138.84 111.7 7.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.71 124.5 27.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.605 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.4 OUTLIER -79.5 -46.25 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -75.01 -42.65 0.48 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -14.38 59.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.54 38.27 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t -135.84 153.87 51.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.933 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.583 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 m-85 -109.16 155.33 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -144.63 128.1 16.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -116.51 115.52 25.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -132.92 154.16 50.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.932 HD12 ' CE3' ' A' ' 92' ' ' TRP . 3.5 mt -116.79 138.12 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -118.6 151.89 37.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 91' ' ' LEU . 40.8 t0 -74.68 162.85 28.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.4 tt -112.49 -1.36 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -42.78 3.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.49 -13.02 16.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.93 43.57 61.24 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.88 172.84 7.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.243 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -71.98 127.96 34.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 63' ' ' CYS . 91.3 mt -112.38 -15.89 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.932 ' CE3' HD12 ' A' ' 82' ' ' ILE . 44.1 t90 -162.64 148.6 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 8.6 tt0 -143.41 125.61 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 37.9 tp60 -126.64 135.05 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' LEU . 39.4 mt-10 -105.26 77.56 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.598 ' CD2' ' CE2' ' A' ' 100' ' ' PHE . 40.1 mt -37.22 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -124.23 161.5 25.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.05 146.03 9.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.28 55.24 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.598 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 41.0 t80 -102.89 137.1 41.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.69 151.86 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.384 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.648 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 1.0 OUTLIER -120.95 113.78 20.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -86.22 159.66 19.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.474 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 59.4 p -168.48 70.51 0.8 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.045 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.13 20.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.459 ' HD3' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -104.17 -173.5 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.337 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.37 -44.84 8.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 5.7 p90 -140.96 40.82 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.668 ' CE2' ' CD1' ' A' ' 2' ' ' LEU . 34.7 t80 -140.76 104.05 4.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.845 ' HB2' HD21 ' A' ' 121' ' ' LEU . 18.7 m170 -99.54 159.42 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.665 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.3 p -120.19 154.97 34.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.36 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.569 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 41.2 t80 -138.7 170.41 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -123.78 117.94 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.42 -158.66 33.91 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -61.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -151.88 21.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 28.3 p -126.91 153.37 45.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.37 123.76 43.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.11 150.68 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.574 ' CB ' ' CZ3' ' A' ' 59' ' ' TRP . . . -132.73 158.96 41.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.864 ' O ' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -127.97 142.53 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.459 ' HB2' ' CD2' ' A' ' 109' ' ' PHE . 48.2 t-20 -124.78 125.06 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.709 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 50.5 m-85 -79.93 155.91 27.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.829 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -84.98 -21.32 29.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.57 142.75 51.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.6 -51.6 40.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' LYS . 7.8 mt-10 -55.18 -50.56 69.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -52.73 -32.26 42.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.709 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -74.63 -39.14 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -71.4 -32.07 67.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLU . 0.2 OUTLIER -77.34 -32.34 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.88 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -58.54 -57.86 11.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -36.04 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.568 1.168 . . . . 0.0 110.316 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -47.74 84.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.26 -54.58 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.7 t -50.9 -59.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 133' ' ' ARG . 20.0 p -50.93 -46.74 60.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -43.62 67.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.811 HD21 ' HE3' ' A' ' 43' ' ' MET . 77.9 mt -65.68 -41.05 92.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -68.38 -33.72 74.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -71.85 -48.83 25.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.105 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' GLN . 0.1 OUTLIER -69.17 -38.73 78.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.532 0.783 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 69.54 -60.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 142' ' ' ARG . 1.6 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 7.3 mp -61.87 142.97 94.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.0 164.58 33.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.64 21.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.5 Cg_endo -74.94 139.19 24.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.77 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.3 143.57 32.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 119.48 5.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' GLN . 24.6 t80 -99.28 120.62 39.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.4 t -128.47 115.19 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -175.78 167.65 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 11' ' ' THR . 12.5 t -173.04 66.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 12' ' ' THR . 4.7 t -171.13 92.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.83 168.77 14.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.1 138.91 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -110.43 144.7 30.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -33.78 4.28 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 p -59.85 -41.25 91.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -118.4 59.97 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.3 tp -104.76 13.75 30.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.03 17.14 8.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.92 85.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 54.88 170.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.348 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.57 170.97 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 110.208 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.7 p -40.09 -58.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 55.14 170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.9 159.05 15.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.0 m 62.65 158.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.958 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.08 165.15 44.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -159.57 160.33 34.31 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.458 0.74 . . . . 0.0 110.098 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.62 152.07 5.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -158.68 155.36 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.05 134.58 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -155.58 164.79 38.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 p -53.37 121.08 6.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -74.63 125.47 28.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 tp -134.4 145.41 48.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.219 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.74 143.37 3.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 81.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt 59.82 -175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.3 p -80.15 141.76 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 108.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.0 p -102.77 139.03 24.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -88.13 131.36 34.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -92.72 -59.89 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.56 158.0 36.34 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 132.29 49.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.698 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -148.84 128.73 13.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 66' ' ' VAL . 46.8 t -67.91 123.64 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.5 m -135.5 165.14 31.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' SER . 63.0 mt-30 -113.11 119.42 37.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -78.92 121.33 24.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.6 m-85 -130.28 156.62 44.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.71 131.66 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -82.27 89.78 6.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.78 -174.18 4.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.76 69.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 70.29 27.52 4.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m 65.75 67.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.0 mmm -148.86 123.72 9.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 46.4 m95 -49.09 124.3 8.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 m -112.72 108.86 18.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 10.6 ttpp -55.65 135.73 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.58 -41.78 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 160.93 114.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 108.28 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 5.1 m -97.89 170.45 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 165.96 -156.21 27.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.368 1.042 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.558 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -89.81 119.04 36.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -111.36 163.31 14.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' SG ' HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -152.78 140.22 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.4 111.4 23.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -105.27 155.33 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.07 120.92 17.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.68 120.51 22.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.613 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.3 OUTLIER -76.65 -45.81 3.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.204 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.96 -42.08 0.57 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' ARG . 1.4 mt-30 -78.6 -0.59 30.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLN . 30.6 mtp85 37.86 43.76 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.245 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -145.07 161.36 39.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 96' ' ' LEU . 84.9 m-85 -107.38 164.64 12.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 70' ' ' VAL . 78.8 m-85 -150.74 132.96 15.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.12 116.55 25.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HB3' HD21 ' A' ' 90' ' ' LEU . 15.8 mtt85 -133.19 151.61 51.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 17.0 mt -120.98 135.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.8 143.26 46.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.598 1.186 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.614 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.7 t0 -74.72 160.15 31.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 14.4 tt -105.19 -9.72 9.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.18 -39.25 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -96.79 -13.22 22.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.05 32.57 3.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -120.38 173.48 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.853 HD13 ' OE1' ' A' ' 93' ' ' GLU . 2.0 mt -68.18 130.29 42.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 84' ' ' ASP . 87.4 mt -112.89 -25.94 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.917 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.2 t90 -163.12 143.45 9.17 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.853 ' OE1' HD13 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -153.32 124.48 7.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.616 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -128.84 135.56 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' LEU . 2.1 mt-10 -86.98 88.28 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 78' ' ' TYR . 17.9 mt -39.75 143.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -91.27 161.2 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' ' NH1' ' A' ' 143' ' ' ARG . 1.1 t30 -51.34 -63.67 1.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -93.55 51.32 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.537 ' CG ' HD22 ' A' ' 96' ' ' LEU . 78.6 t80 -68.99 144.52 54.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.2 155.88 34.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 113.62 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -93.02 153.21 18.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.1 t -169.72 94.39 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.86 21.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.456 1.766 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -135.76 133.05 37.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -66.41 69.67 0.16 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.519 ' CZ ' ' OD1' ' A' ' 122' ' ' ASN . 2.7 t80 162.14 -24.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 122' ' ' ASN . 0.9 OUTLIER -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.04 145.54 27.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 0.0 109.599 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.713 HG22 ' CB ' ' A' ' 120' ' ' ALA . 11.5 p -128.15 153.91 46.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 16.1 p90 -160.53 174.42 14.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -82.54 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -94.01 -173.74 39.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.5 OUTLIER -38.83 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.8 t -121.33 -7.71 9.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.41 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 28.4 p -129.51 160.09 34.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 8' ' ' TYR . 9.5 tt0 -77.34 137.8 38.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.635 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 14.7 m -135.18 155.75 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.713 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -123.94 160.07 28.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.98 137.21 54.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 12.0 t30 -131.34 117.46 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.581 ' CE1' ' CG ' ' A' ' 132' ' ' PHE . 55.2 m-85 -77.51 161.19 28.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.48 -25.74 33.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -122.07 148.54 44.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.79 -49.39 21.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.53 -50.72 69.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.6 -30.23 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.516 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -78.5 -39.43 38.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -64.41 -43.24 94.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -26.97 62.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.698 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -61.49 -57.08 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 137' ' ' THR . 6.3 ttt-85 -64.35 -39.21 93.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.418 ' HA ' ' HG1' ' A' ' 137' ' ' THR . 0.0 OUTLIER -65.4 -37.95 88.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -66.22 -52.48 47.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.588 HG13 HD13 ' A' ' 140' ' ' LEU . 2.2 t -55.98 -47.59 79.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 133' ' ' ARG . 34.3 p -59.85 -49.84 76.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -31.1 72.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -76.87 -49.31 16.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.588 HD13 HG13 ' A' ' 136' ' ' VAL . 1.1 mp -63.99 -36.52 84.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.78 -45.61 93.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.429 1.081 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -63.46 -40.6 97.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 110.274 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.422 ' NH1' ' O ' ' A' ' 98' ' ' ASN . 44.7 ttp180 -40.09 -58.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.246 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' NH1' ' A' ' 106' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.45 156.65 59.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HG3' ' CD2' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.96 155.86 43.13 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -74.95 134.38 17.83 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.379 1.726 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.2 Cg_endo -75.02 141.64 26.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' O ' ' NE2' ' A' ' 118' ' ' GLN . 3.5 pt-20 -110.09 134.28 20.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 117.29 4.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.779 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 2.6 t80 -117.09 127.14 53.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.21 115.82 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -178.85 89.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.741 ' O ' HG22 ' A' ' 12' ' ' THR . 10.3 t -59.12 141.24 54.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 11' ' ' THR . 15.0 t 50.52 177.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.434 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' CE ' ' HB2' ' A' ' 95' ' ' GLU . 3.6 mptt -100.17 -169.72 1.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -144.29 88.83 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.629 ' CE1' ' O ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -105.28 144.93 29.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.06 -48.0 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -61.2 -37.15 81.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -118.38 53.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -91.63 14.19 15.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 71.17 17.85 5.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -55.08 5.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -141.48 113.5 7.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.69 -59.76 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.363 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.71 125.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.17 168.82 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.52 73.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.5 p -85.54 136.45 33.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.41 -166.64 15.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 p -84.46 165.6 17.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 0.726 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -127.93 64.29 0.6 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -132.56 93.35 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tp -171.2 164.8 7.32 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.57 53.09 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.5 114.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -121.73 101.7 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.96 123.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.8 125.09 7.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -133.32 143.09 48.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.302 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.61 51.78 2.09 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 28.2 p -81.29 142.33 33.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.268 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.4 m -106.17 152.68 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.727 ' OG1' HG22 ' A' ' 70' ' ' VAL . 48.6 m -103.47 152.39 21.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -110.3 -48.54 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.9 p -159.75 173.13 16.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.4 p -149.61 149.58 30.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.774 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -165.58 139.96 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.99 126.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -147.14 166.0 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 39.0 mt-30 -111.84 125.81 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.4 tm? -79.84 120.88 24.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' N ' HD13 ' A' ' 50' ' ' LEU . 3.1 m-30 -113.2 156.69 22.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.35 118.4 24.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB3' ' CB ' ' A' ' 118' ' ' GLN . . . -79.43 91.36 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.72 171.16 16.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER 71.71 92.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ARG . 2.4 t30 37.3 34.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' ARG . 70.7 m 69.36 77.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' TRP . 2.4 mtp -153.06 104.55 2.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.682 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 43.5 m95 -39.33 137.02 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.016 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' ALA . 28.7 t -127.92 110.9 12.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.39 125.56 19.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.86 -40.92 4.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.94 179.24 2.0 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 108.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.38 161.76 10.03 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.6 -152.72 23.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.592 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 2.6 t -88.38 124.0 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -114.48 136.19 53.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.558 ' O ' HD12 ' A' ' 80' ' ' LEU . 26.5 p -126.68 139.01 53.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 108.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' ' CE ' ' A' ' 43' ' ' MET . 7.0 tp -93.14 109.01 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.727 HG22 ' OG1' ' A' ' 42' ' ' THR . 10.3 t -110.18 144.13 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -125.71 129.03 48.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.08 106.91 18.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.42 144.35 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -150.12 67.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -158.99 -63.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.403 ' HG ' ' HD1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER 170.03 164.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.836 ' CZ ' HD21 ' A' ' 139' ' ' LEU . 5.8 m-85 -117.77 163.59 16.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 39.7 m-85 -149.03 131.1 15.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 68' ' ' CYS . 21.1 tp -115.6 136.74 52.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.44 161.09 37.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.925 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.9 mt -126.34 143.66 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.728 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.43 145.47 48.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 30.3 t0 -77.34 154.1 33.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.721 HG23 ' HD2' ' A' ' 86' ' ' LYS . 11.9 tt -92.72 -11.22 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.721 ' HD2' HG23 ' A' ' 85' ' ' ILE . 1.5 mptm? -111.7 -43.34 3.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.49 -13.32 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 42.92 39.53 3.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 10.6 mttt -140.2 171.47 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.66 125.17 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 91' ' ' LEU . 7.3 mt -112.97 -12.35 13.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.925 ' CE3' HD12 ' A' ' 82' ' ' ILE . 68.7 t90 -162.68 148.07 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.742 ' HB3' HD11 ' A' ' 90' ' ' LEU . 11.5 pt-20 -131.85 142.06 49.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.608 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 21.2 tp60 -125.97 136.42 52.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' HB2' ' CE ' ' A' ' 13' ' ' LYS . 33.7 mt-10 -111.57 71.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.671 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.9 mt -37.03 145.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -92.92 161.16 14.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -51.04 -37.79 47.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.29 42.73 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.904 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -52.49 135.72 33.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.4 p -125.36 153.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -120.96 120.56 35.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.947 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 70.3 m-20 -110.0 141.92 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 4.6 t -144.51 79.57 12.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -6.53 18.13 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.466 1.771 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' NH1' ' O ' ' A' ' 1' ' ' ASP . 0.1 OUTLIER -113.8 -171.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.46 -55.21 4.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.445 1.091 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -131.92 43.32 3.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 0.731 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD2' ' HG3' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -138.42 109.03 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 104' ' ' SER . 8.5 m170 -99.17 129.14 45.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.9 p -102.99 140.4 37.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CZ ' ' CG2' ' A' ' 119' ' ' VAL . 3.8 p90 -148.65 -152.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.779 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -130.16 145.53 51.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.528 ' HA3' HG21 ' A' ' 119' ' ' VAL . . . -130.85 122.9 3.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.425 ' CG ' ' N ' ' A' ' 116' ' ' THR . 6.1 t0 51.23 -91.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 0.807 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' GLY . 6.4 t -142.04 13.97 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.4 m -128.56 159.41 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.519 ' CB ' ' HB3' ' A' ' 53' ' ' ALA . 3.4 mt-30 -76.24 139.35 41.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.528 HG21 ' HA3' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -144.93 143.25 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.682 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -130.22 154.13 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 0.4 OUTLIER -126.5 130.79 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 3.2 p-10 -122.94 106.69 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.506 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 55.0 m-85 -62.38 162.96 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.62 -40.25 42.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -112.74 154.65 25.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 27.2 tt0 -75.17 -52.87 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -51.51 -50.45 59.93 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.417 1.073 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -54.29 -27.85 38.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 126' ' ' GLU . . . -77.37 -36.77 53.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 126' ' ' GLU . 0.6 OUTLIER -67.2 -48.18 68.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -62.93 -28.4 70.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -66.24 -56.25 12.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -35.01 78.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -44.01 96.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -53.28 57.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 HD13 ' A' ' 140' ' ' LEU . 49.0 t -51.59 -60.52 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.8 p -51.28 -46.49 62.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.42 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -42.23 73.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.836 HD21 ' CZ ' ' A' ' 78' ' ' TYR . 7.4 tt -69.82 -48.48 58.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.904 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -60.99 -29.1 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.33 -48.82 42.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -61.69 -37.09 82.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.789 . . . . 0.0 110.354 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.86 121.62 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 2' ' ' LEU . 1.9 mm? -64.59 139.11 97.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.465 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 164.85 32.54 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.05 136.67 20.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -74.97 134.64 18.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -94.25 154.1 40.49 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 120.68 6.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.488 ' CE1' ' HB1' ' A' ' 113' ' ' ALA . 33.9 t80 -99.16 133.93 42.74 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -119.04 139.45 46.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.76 141.15 53.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 11' ' ' THR . 8.8 t -164.7 116.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.46 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -45.59 145.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -131.45 162.47 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.2 129.98 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.458 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 14.6 m-85 -103.8 145.51 30.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.07 -33.02 4.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.43 1.753 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.52 -40.39 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -118.13 55.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -101.74 12.68 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 71.61 15.38 6.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 72.45 -65.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -178.32 127.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 70.62 -61.16 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -39.71 154.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.395 1.059 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.49 85.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.42 -157.61 27.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 m -124.62 162.73 23.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 109.973 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.71 -75.92 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -41.39 121.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.51 -87.64 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.4 m 57.4 165.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.31 -66.13 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -174.62 96.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 88.2 p -167.37 67.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -169.12 93.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.8 136.98 33.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.14 150.13 17.87 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttp -141.54 71.91 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 109.272 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.53 54.98 0.8 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 p -113.21 140.43 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 108.261 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.869 HG13 ' ND2' ' A' ' 73' ' ' ASN . 17.4 m -82.21 154.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.469 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 65.6 m -121.94 123.84 42.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 110.444 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.524 ' SD ' HD22 ' A' ' 139' ' ' LEU . 3.0 mtm -69.94 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 t -167.62 147.58 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 p -99.3 127.02 45.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.857 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -138.88 120.93 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.05 120.83 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.67 164.23 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -112.75 120.42 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.235 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -79.86 124.22 28.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CE1' ' HG2' ' A' ' 61' ' ' LYS . 43.1 m-85 -125.26 154.21 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.2 126.75 45.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.073 . . . . 0.0 109.24 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.05 87.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.58 173.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' CYS . 11.2 mtp180 -51.49 163.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 2.4 m-20 63.91 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 109.246 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' ARG . 2.4 p 166.72 80.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 108.28 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' TRP . 60.7 mmm -153.4 86.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 38.9 m95 -40.43 142.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 t -133.16 124.75 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.936 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -57.2 132.05 51.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -111.95 -40.94 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.527 ' SG ' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER 177.12 120.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.25 161.54 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.68 -149.03 19.35 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.805 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.9 p -93.43 130.57 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.665 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -120.32 144.62 47.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.8 t -137.93 140.39 40.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 108.328 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD22 ' SD ' ' A' ' 43' ' ' MET . 0.1 OUTLIER -93.65 112.36 24.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -107.33 144.53 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HD2' ' CE1' ' A' ' 78' ' ' TYR . 29.3 tttt -127.83 133.06 49.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 4.2 m-20 -77.17 108.78 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.869 ' ND2' HG13 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -78.7 -40.59 1.69 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.98 -2.7 12.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 7.8 mt-30 -123.33 -123.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.66 34.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.2 t -141.34 163.59 32.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.9 ' HB2' HD12 ' A' ' 96' ' ' LEU . 8.5 m-30 -115.86 158.08 23.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.382 1.052 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -137.66 132.83 33.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -121.88 122.57 39.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.96 160.05 40.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.842 HD12 ' HE3' ' A' ' 92' ' ' TRP . 2.0 mt -117.35 144.35 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.805 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -121.27 148.49 44.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -74.38 151.46 39.7 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.8 tt -95.8 -10.76 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -111.58 -41.94 3.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.28 -12.79 39.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.379 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 48.28 29.86 7.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 15.3 mttm -122.42 173.8 7.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 0.742 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 93' ' ' GLU . 4.3 tt -71.75 130.02 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 63' ' ' CYS . 11.5 mt -112.62 -14.01 13.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.088 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.842 ' HE3' HD12 ' A' ' 82' ' ' ILE . 65.8 t90 -162.89 145.55 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.023 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.925 ' HB3' HD11 ' A' ' 90' ' ' LEU . 8.5 pt-20 -144.03 131.65 21.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.594 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -127.82 135.01 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -103.17 83.97 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.9 HD12 ' HB2' ' A' ' 78' ' ' TYR . 22.2 mt -39.6 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -120.67 161.59 21.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.057 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.19 146.92 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 53.07 59.88 4.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.355 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 1.004 ' O ' HD21 ' A' ' 140' ' ' LEU . 76.0 t80 -88.62 138.28 31.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.87 157.8 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.607 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -119.34 120.1 35.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -90.17 130.83 36.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 105' ' ' PRO . 73.8 p -148.96 63.59 6.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.2 Cg_endo -75.06 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -176.91 3.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.21 -54.21 14.61 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 6.1 p90 -143.21 46.78 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 0.787 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 24.2 t80 -140.44 104.7 4.82 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -98.81 139.15 34.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 109.646 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.66 HG22 ' CB ' ' A' ' 120' ' ' ALA . 23.1 p -120.86 153.96 36.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.453 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 15.3 p90 -162.53 175.19 11.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 8' ' ' TYR . . . -83.57 137.71 33.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 117' ' ' CYS . . . -95.87 -167.06 34.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.01 -66.75 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -126.36 -8.35 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -129.45 159.73 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.322 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.77 124.21 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.734 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.8 m -117.95 154.31 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.66 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -125.26 152.43 44.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.28 142.07 48.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 1.2 t30 -132.55 121.29 23.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 55.7 m-85 -77.89 159.99 28.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.29 -21.43 39.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.74 156.63 46.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -75.67 -50.15 16.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.68 -49.56 70.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.5 mt-10 -54.68 -31.19 57.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.152 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -36.44 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 134' ' ' LYS . 9.0 tttp -68.64 -45.26 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -66.41 -27.99 68.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.857 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -64.45 -56.91 11.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.846 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.77 -29.41 70.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -68.91 -40.24 79.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.59 59.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.607 HG21 ' CE2' ' A' ' 102' ' ' TYR . 49.4 t -54.63 -59.07 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.846 HG23 ' O ' ' A' ' 133' ' ' ARG . 41.6 p -49.62 -49.54 46.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.59 -42.73 67.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.524 HD22 ' SD ' ' A' ' 43' ' ' MET . 1.5 mp -68.81 -43.65 75.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.004 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -62.52 -37.5 86.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.88 -48.39 55.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -43.17 93.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 0.789 . . . . 0.0 110.329 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -52.61 64.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.625 HD13 ' CE2' ' A' ' 109' ' ' PHE . 4.5 mm? -65.12 129.74 94.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.643 ' CG ' ' CD1' ' A' ' 109' ' ' PHE . 18.2 Cg_endo -75.01 165.52 31.12 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.551 1.817 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.97 135.72 19.51 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HG2' ' CB ' ' A' ' 57' ' ' CYS . 18.2 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.49 148.47 36.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.93 5.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -108.8 134.26 51.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 t -111.3 140.63 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -96.96 132.21 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -122.23 -60.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -169.66 164.5 10.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.432 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -167.6 142.45 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.4 m -143.56 150.95 39.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 51.7 m-85 -110.87 146.95 35.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -31.81 5.82 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.427 1.751 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -61.85 -41.79 98.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.35 57.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.8 tp -105.54 15.1 27.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.36 18.35 4.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.382 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 56.41 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 56.22 168.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.46 68.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 m -106.92 105.42 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -51.34 101.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.72 -106.39 0.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -173.87 135.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.17 -147.33 8.86 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.2 m -149.96 168.48 23.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -43.87 148.62 0.92 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.7 p -81.7 156.94 24.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.749 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.5 93.19 3.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -85.71 117.21 24.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.13 96.53 5.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.14 167.52 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.34 73.05 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.12 141.85 4.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.01 178.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 0.712 . . . . 0.0 109.225 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.81 157.64 12.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 23.7 p -77.73 141.2 39.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 70' ' ' VAL . 29.7 m -90.0 152.97 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.2 m -109.49 110.63 21.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.448 ' HE2' ' CD ' ' A' ' 71' ' ' LYS . 2.4 ttm -60.35 -62.75 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.7 t -165.47 175.21 9.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -135.08 130.63 35.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.597 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -143.05 138.81 30.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.07 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.61 110.52 13.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CD2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -128.08 158.32 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -113.64 125.38 54.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -79.66 121.32 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 6.8 m-85 -127.16 154.04 45.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -126.63 130.43 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.89 88.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -70.28 167.2 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.35 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -52.09 178.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 57' ' ' CYS . 23.2 m-20 44.94 36.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 7.4 p 38.9 78.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.485 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 3.2 mtp -157.35 97.14 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.475 ' NE1' ' O ' ' A' ' 3' ' ' PRO . 25.2 m95 -42.67 157.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 107.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' ALA . 30.2 t -139.06 103.55 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -56.28 133.52 52.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.92 -42.53 3.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.5 p -160.49 173.62 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.41 153.97 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' HA2' ' CG1' ' A' ' 85' ' ' ILE . . . 163.15 -148.55 15.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.596 ' O ' ' CE2' ' A' ' 83' ' ' PHE . 2.2 t -92.33 119.91 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.879 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.98 140.44 43.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.422 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.4 p -135.23 143.31 46.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD22 ' SD ' ' A' ' 43' ' ' MET . 3.2 tt -101.15 116.01 31.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 41' ' ' VAL . 81.2 t -110.09 140.86 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' CD ' ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -130.13 131.55 45.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -91.55 131.3 37.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.289 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.586 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.9 m-20 -80.86 -47.85 1.15 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.96 -43.75 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.409 1.742 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ARG . 2.2 mp0 -75.84 -1.88 27.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' GLN . 5.0 mtt180 35.24 40.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.2 p -141.59 147.13 37.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.905 ' CE2' HD21 ' A' ' 139' ' ' LEU . 6.3 m-85 -105.55 152.17 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 111.089 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -134.82 132.43 38.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.82 110.63 17.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -129.71 149.57 51.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.933 HD12 ' CE3' ' A' ' 92' ' ' TRP . 8.1 mt -117.9 141.85 35.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -117.97 149.26 41.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.5 ' CB ' HD11 ' A' ' 91' ' ' LEU . 7.6 t0 -72.58 158.97 34.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.424 ' CG1' ' HA2' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -101.29 -17.62 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 -25.58 9.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.1 -13.36 15.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.86 34.63 5.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 9.9 mmtp -126.25 162.36 25.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -62.71 131.05 47.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 84' ' ' ASP . 93.0 mt -112.56 -21.48 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.933 ' CE3' HD12 ' A' ' 82' ' ' ILE . 67.9 t90 -155.03 148.4 25.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.016 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' HB2' HD12 ' A' ' 90' ' ' LEU . 15.3 tt0 -150.22 127.36 11.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 38.6 tp60 -124.47 135.4 53.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 53.0 mt-10 -98.13 75.56 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.668 HD22 ' CZ ' ' A' ' 100' ' ' PHE . 63.8 mt -36.1 146.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -122.61 161.14 24.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -53.28 146.95 11.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t30 63.55 49.55 3.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 1.039 ' O ' HD21 ' A' ' 140' ' ' LEU . 56.1 t80 -87.24 139.32 30.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.2 155.79 34.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -120.43 113.73 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -84.73 137.15 33.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 m -155.3 93.05 2.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -18.43 18.64 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.83 151.99 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 108' ' ' TYR . . . -78.94 68.54 3.05 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 0.9 OUTLIER 162.2 -24.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.643 ' CD1' ' CG ' ' A' ' 3' ' ' PRO . 7.1 t80 -117.75 114.26 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -108.51 138.67 44.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.1 p -105.82 147.08 29.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.604 ' CE1' ' O ' ' A' ' 113' ' ' ALA . 59.7 t80 -122.51 172.59 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.604 ' O ' ' CE1' ' A' ' 112' ' ' PHE . . . -120.35 107.44 12.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.96 -179.62 48.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -44.29 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -139.49 13.17 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 63.8 m -128.44 150.05 50.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 108.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -90.69 122.85 33.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 112' ' ' PHE . 29.0 m -123.62 151.66 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -126.41 165.41 19.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.526 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -135.2 136.88 42.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 11.4 p30 -132.54 124.35 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.522 ' CE2' ' CG ' ' A' ' 132' ' ' PHE . 42.4 m-85 -81.22 161.95 23.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.36 -26.92 30.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.59 151.99 38.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.94 -51.16 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.5 -50.46 65.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 2.4 mt-10 -54.68 -29.84 54.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 123' ' ' PHE . . . -80.12 -38.8 30.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -43.61 87.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -70.06 -26.69 64.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.597 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -63.02 -58.16 8.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.03 -33.31 74.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -75.5 -53.77 8.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.77 -59.47 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.787 HG23 ' O ' ' A' ' 133' ' ' ARG . 74.0 p -50.17 -49.86 50.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.65 -40.23 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.905 HD21 ' CE2' ' A' ' 78' ' ' TYR . 4.6 tt -68.83 -48.36 63.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.039 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.66 -40.44 87.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.89 -47.18 92.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -65.87 -38.58 89.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 91.66 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.491 HD23 ' CZ ' ' A' ' 109' ' ' PHE . 0.3 OUTLIER -80.81 169.96 17.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.577 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.5 Cg_endo -74.98 164.27 33.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.417 1.746 . . . . 0.0 111.023 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 137.37 21.62 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.592 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.6 Cg_endo -74.97 132.82 15.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.552 1.817 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -96.28 130.77 30.09 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.58 5.71 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.692 ' CE2' ' HB1' ' A' ' 113' ' ' ALA . 17.2 t80 -132.02 135.88 46.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.38 145.84 30.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 127.51 32.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 11' ' ' THR . 5.1 t -125.08 60.72 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER 70.14 -59.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.167 . . . . 0.0 110.438 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 159.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.56 119.75 7.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -109.59 152.41 42.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.358 1.036 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.764 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.97 -37.13 2.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.0 p -61.61 -43.92 97.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -113.86 50.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.377 1.048 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -90.83 -20.58 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.9 13.86 7.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.96 100.93 12.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -157.16 156.15 32.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.83 102.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.1 -59.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.923 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.71 127.66 33.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.19 -146.2 16.1 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.1 p -172.37 128.16 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.046 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.66 172.16 32.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.5 m 52.18 87.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 0.797 . . . . 0.0 110.054 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.13 100.77 0.86 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.52 97.69 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 110.033 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 mp -49.25 129.99 18.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -45.41 160.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 m -129.7 165.5 21.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -83.82 -52.6 6.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.8 70.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.34 70.62 3.06 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 98.99 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 46.18 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.3 m -62.07 141.35 58.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 108.279 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.4 t -116.38 134.04 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.349 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.1 m -100.05 131.78 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.907 ' SD ' HD12 ' A' ' 139' ' ' LEU . 3.5 mtp -95.75 -62.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 p -140.12 178.11 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 110.063 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.8 t -158.55 117.2 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -137.92 141.25 40.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.53 126.29 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -145.02 166.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -111.28 125.41 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -79.38 123.54 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.4 m-85 -127.47 152.26 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -125.11 129.23 49.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.384 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -85.22 89.64 7.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -149.16 -179.76 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.25 80.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 46.28 44.05 12.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 45.0 m 59.73 83.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 108.255 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 mtp -161.12 108.41 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.506 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 53.1 m95 -43.47 128.83 5.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' ALA . 4.2 t -119.51 108.94 15.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.047 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.31 134.43 57.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -110.69 -39.56 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER 163.68 131.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.254 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 164.86 11.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.85 -155.96 27.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.2 t -89.22 120.12 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -108.07 139.29 42.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 30.7 p -138.81 144.56 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 43' ' ' MET . 0.4 OUTLIER -95.54 112.08 23.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.55 147.39 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' HG3' ' CD1' ' A' ' 78' ' ' TYR . 8.5 tttt -124.02 127.15 47.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -74.78 92.31 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.719 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -78.49 -39.36 1.63 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.4 Cg_endo -74.99 -2.14 12.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' CB ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -122.76 -95.79 0.47 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 161.21 49.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m -164.68 -171.33 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.978 ' CE1' HD11 ' A' ' 139' ' ' LEU . 66.6 m-85 -128.01 167.64 16.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 45.1 m-85 -150.89 129.27 12.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.04 111.75 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' NH2' HD11 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -130.17 145.33 51.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.086 HD12 ' CE3' ' A' ' 92' ' ' TRP . 2.1 mt -112.85 143.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.89 144.14 49.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 1.047 ' N ' HD21 ' A' ' 91' ' ' LEU . 44.8 t0 -83.18 159.56 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.4 tt -112.39 12.84 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.47 -43.53 3.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.05 -13.97 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 61.51 43.66 99.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.2 178.97 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 91' ' ' LEU . 21.4 mt -86.46 128.57 34.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.047 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.53 -13.82 13.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 1.086 ' CE3' HD12 ' A' ' 82' ' ' ILE . 88.9 t90 -157.51 139.94 14.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -152.36 121.63 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.617 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -130.85 136.39 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -86.86 89.39 7.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD12 ' HB3' ' A' ' 78' ' ' TYR . 57.3 mt -37.1 143.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -123.95 161.65 24.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' PHE . 10.0 t-20 -56.23 -64.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -68.95 68.26 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.388 1.055 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASN . 47.8 t80 -118.31 131.68 56.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.6 t -125.52 153.75 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.665 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -121.04 116.9 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 8.1 m-80 -103.31 141.03 36.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 m -147.1 66.46 10.3 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -5.73 17.14 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.536 1.808 . . . . 0.0 111.057 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -110.73 168.11 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -49.87 -65.13 3.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 1.8 p90 -135.78 50.02 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 3' ' ' PRO . 51.1 t80 -140.37 106.21 5.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 3.8 m170 -98.73 142.85 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.584 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.683 HG22 ' CB ' ' A' ' 120' ' ' ALA . 21.9 p -121.77 153.48 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.408 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.712 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 14.0 p90 -162.24 176.47 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.692 ' HB1' ' CE2' ' A' ' 8' ' ' TYR . . . -81.78 141.38 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -103.15 -172.79 26.25 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' GLY . 0.4 OUTLIER -39.4 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.5 t -122.93 -8.56 8.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.404 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 84.1 m -129.47 160.53 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 108.278 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.28 131.11 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.712 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 17.6 m -125.76 156.97 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' CB ' HG22 ' A' ' 111' ' ' THR . . . -130.78 155.49 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.665 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.7 OUTLIER -120.72 139.44 53.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.085 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -128.3 114.91 17.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.468 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 77.3 m-85 -73.59 162.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.89 -31.77 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -118.9 153.54 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -76.1 -51.28 12.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.42 -49.94 71.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -55.42 -28.66 55.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.468 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.2 -38.53 35.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.377 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.12 87.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -68.65 -27.3 65.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 1.1 t80 -64.36 -56.35 14.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.566 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -62.52 -28.77 70.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -36.03 74.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.56 -52.07 17.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.2 t -51.25 -60.97 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 133' ' ' ARG . 32.2 p -51.18 -49.3 61.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -39.83 65.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.978 HD11 ' CE1' ' A' ' 78' ' ' TYR . 4.1 tt -70.11 -48.66 56.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -32.35 72.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -63.17 -41.37 99.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.583 1.177 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -33.45 65.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 144' ' ' GLN . 1.5 tpt180 -57.93 125.42 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.481 ' CB ' ' O ' ' A' ' 143' ' ' ARG . 4.4 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.454 ' O ' ' NH2' ' A' ' 106' ' ' ARG . 10.4 m-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.5 159.7 71.54 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 109' ' ' PHE . 18.4 Cg_endo -74.96 157.02 43.16 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 137.57 21.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.561 1.822 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.507 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -75.01 130.52 13.34 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.57 132.4 37.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.389 1.055 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 125.2 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 m -91.53 145.63 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.56 131.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.243 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 12' ' ' THR . 0.9 OUTLIER -151.63 171.49 17.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 110.422 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 11' ' ' THR . 0.1 OUTLIER -125.34 141.15 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 148.16 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.609 1.193 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.5 m -111.86 120.99 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.948 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m-85 -95.32 145.06 28.87 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.03 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -62.46 -14.05 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.86 51.0 1.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -100.86 -21.04 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.43 18.14 4.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 43.61 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.44 102.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.27 162.35 17.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.04 -58.75 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.0 -56.8 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.53 -133.01 6.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 t 66.98 123.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.35 -131.66 3.18 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.03 169.16 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.6 121.12 5.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.9 155.3 24.96 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.499 0.764 . . . . 0.0 110.045 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.55 -59.78 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -159.39 158.79 32.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -178.96 119.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -162.6 146.47 11.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.2 93.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.57 145.27 15.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.83 169.31 22.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.12 159.33 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' HB3' ' CG1' ' A' ' 70' ' ' VAL . 38.4 m -67.38 139.94 57.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.8 t -91.37 133.3 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 68' ' ' CYS . 61.0 m -103.13 145.99 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.783 ' HE3' ' HB1' ' A' ' 135' ' ' ALA . 14.1 mmm -99.73 -70.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -150.06 172.82 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.933 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -128.73 130.48 47.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -141.6 119.74 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.971 HG13 ' O ' ' A' ' 65' ' ' GLY . 96.5 t -69.13 115.91 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -135.34 165.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 5.6 tt0 -112.08 134.99 53.3 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.06 123.49 32.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 49' ' ' GLN . 22.8 m-85 -125.89 154.74 42.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.067 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.64 134.83 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -82.06 88.12 6.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.52 178.07 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' C ' ' N ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 60.59 171.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -40.29 -30.7 0.11 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 55' ' ' ARG . 5.4 p 170.17 82.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 mtp -158.97 119.97 3.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 31.7 m95 -61.93 159.86 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.3 p -144.87 118.56 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 128.52 34.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -41.96 4.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.0 p 176.27 146.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -138.61 154.3 48.67 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.971 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 168.05 -140.17 6.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.76 HG13 ' CD2' ' A' ' 83' ' ' PHE . 11.6 p -99.52 134.37 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -129.21 155.54 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -151.24 147.29 26.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 tp -94.43 114.33 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.542 HG23 ' SG ' ' A' ' 68' ' ' CYS . 90.3 t -107.27 139.91 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -115.75 131.82 56.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 77' ' ' SER . 1.1 t0 -86.41 88.14 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.768 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 7.6 t30 -77.99 -35.53 1.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -75.01 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 7.3 mt-30 -121.09 -104.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.24 44.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -177.25 -174.15 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.567 ' CB ' HD12 ' A' ' 96' ' ' LEU . 46.3 m-85 -124.31 169.36 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 48.0 m-85 -150.75 128.0 11.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD23 ' HH2' ' A' ' 92' ' ' TRP . 12.3 tp -106.82 138.98 41.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.738 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.6 mtp180 -151.04 156.06 40.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' A' ' 67' ' ' ALA . 16.1 mt -119.88 143.67 30.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.76 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -122.09 139.71 53.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 15.4 t0 -72.6 154.8 40.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 18.4 tt -108.43 -3.7 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -41.82 4.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.58 -12.93 18.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 50.95 48.67 44.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.58 179.25 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.738 HD21 ' HB3' ' A' ' 81' ' ' ARG . 2.3 mt -77.27 127.69 33.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 91' ' ' LEU . 9.8 mt -111.03 -22.37 11.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.874 ' CE3' HD12 ' A' ' 82' ' ' ILE . 54.5 t90 -160.07 148.39 17.0 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.584 1.178 . . . . 0.0 107.989 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.83 130.34 13.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 110.242 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 44.3 tp60 -127.14 135.21 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 96' ' ' LEU . 25.3 mt-10 -97.92 76.35 2.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD12 ' CB ' ' A' ' 78' ' ' TYR . 85.5 mt -32.92 145.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -120.43 162.2 19.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.446 1.091 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -52.23 160.64 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 44.27 63.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' O ' HD21 ' A' ' 140' ' ' LEU . 34.7 t80 -100.13 138.78 36.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.604 1.19 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 p -124.44 155.35 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.848 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -120.42 115.59 23.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.8 150.48 23.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -158.1 77.38 3.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.079 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -12.87 21.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.398 1.736 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -113.23 -163.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.314 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -89.7 -40.72 5.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 51.2 p90 -139.51 40.69 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.541 ' CD2' ' HB3' ' A' ' 122' ' ' ASN . 23.9 t80 -140.3 105.63 5.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 123' ' ' PHE . 7.2 m170 -102.78 148.17 25.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.1 p -109.62 156.93 19.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.376 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.518 ' CG ' ' N ' ' A' ' 113' ' ' ALA . 56.4 t80 -146.1 170.19 17.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 112' ' ' PHE . . . -130.15 118.68 21.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.95 -158.01 15.18 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.32 -58.96 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.611 0.83 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.0 p -149.81 20.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.9 148.33 50.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -94.09 123.99 37.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.425 1.078 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.34 146.52 33.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.613 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -122.29 163.84 18.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.69 136.0 42.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.541 ' HB3' ' CD2' ' A' ' 109' ' ' PHE . 18.0 p-10 -128.33 119.71 25.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.51 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 59.5 m-85 -73.69 162.1 29.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.69 -17.22 34.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.95 149.71 52.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.58 -51.19 13.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.05 -50.03 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 1.0 OUTLIER -56.75 -28.86 61.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.51 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -35.92 40.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -46.69 71.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -64.84 -28.81 69.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.797 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.2 t80 -64.14 -56.53 14.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -34.92 78.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -64.9 -45.12 87.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.783 ' HB1' ' HE3' ' A' ' 43' ' ' MET . . . -59.16 -50.62 73.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 102' ' ' TYR . 19.3 t -56.19 -56.7 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 141' ' ' GLY . 5.4 p -51.74 -46.05 63.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -48.27 69.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.687 HD11 ' SD ' ' A' ' 43' ' ' MET . 10.4 mt -63.45 -43.92 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.799 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -65.22 -29.72 70.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -74.42 -48.66 13.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -67.22 -45.14 77.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 67.75 124.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.22 148.53 95.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.464 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.07 163.89 34.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.98 136.44 20.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.54 1.811 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.5 Cg_endo -74.98 131.12 13.96 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 152.04 38.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 119.46 5.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.859 ' CZ ' ' HB1' ' A' ' 113' ' ' ALA . 34.9 t80 -108.36 117.36 33.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -129.95 124.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.23 148.94 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.0 -58.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.4 131.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 110.425 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -152.59 137.61 17.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -154.38 123.57 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.495 ' CE2' ' O ' ' A' ' 95' ' ' GLU . 30.6 m-85 -103.68 148.14 35.33 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.076 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.624 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -74.94 -29.39 8.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -66.41 -44.22 83.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -113.05 52.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -96.35 -20.83 18.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.02 18.12 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.51 93.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -177.67 150.87 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.02 163.82 25.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.25 79.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.92 148.85 37.9 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.435 1.084 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.96 -97.33 0.75 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.3 m 65.2 159.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 162.32 -170.42 37.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 147.34 23.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 58.63 154.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.578 1.174 . . . . 0.0 111.039 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.84 126.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.82 129.84 36.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 54.04 171.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 t -174.77 -50.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -46.19 104.26 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.64 155.77 30.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -176.94 83.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 0.831 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 59.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.648 ' HB3' HG11 ' A' ' 70' ' ' VAL . 84.1 m -116.41 142.44 46.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 108.265 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.736 ' O ' HG13 ' A' ' 70' ' ' VAL . 67.4 t -128.23 152.08 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 68' ' ' CYS . 27.7 m -94.29 150.79 19.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -120.94 -61.64 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.66 163.62 39.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.7 p -126.1 150.52 48.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.97 132.52 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.2 t -76.68 125.97 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 123' ' ' PHE . 1.0 OUTLIER -145.53 165.0 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.2 mt-30 -112.92 128.49 56.49 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -78.9 121.73 25.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 49' ' ' GLN . 42.5 m-85 -131.33 142.93 50.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . -126.5 118.62 25.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -59.12 84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -41.96 161.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.2 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -69.45 59.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 t-20 -173.14 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m 43.27 48.11 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 4.5 mtp -145.57 124.96 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 1.168 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 53' ' ' ALA . 23.0 m95 -67.99 154.36 41.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 107.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.97 125.1 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.27 133.01 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -42.28 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.384 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.86 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.435 ' CB ' ' HA ' ' A' ' 49' ' ' GLN . 16.4 m -86.54 173.3 9.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.938 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.76 -164.97 33.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 8.6 t -89.83 129.53 40.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.876 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -109.58 151.02 27.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -130.75 137.64 49.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' CZ ' ' A' ' 132' ' ' PHE . 0.2 OUTLIER -93.96 112.8 24.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 41' ' ' VAL . 87.3 t -98.88 140.15 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 140.97 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 1.1 p-10 -67.81 135.27 52.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' CG2' ' A' ' 41' ' ' VAL . 1.2 t-20 -79.85 -50.93 1.18 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.2 Cg_endo -74.93 -13.36 21.6 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 78.5 72.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.5 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -122.01 -34.53 3.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.477 ' N ' ' OD2' ' A' ' 72' ' ' ASP . 0.3 OUTLIER 170.13 166.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.71 ' CB ' HD12 ' A' ' 96' ' ' LEU . 26.7 m-85 -97.94 142.49 29.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 60.0 m-85 -123.71 127.91 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -101.33 142.94 32.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.664 ' HD2' HD12 ' A' ' 90' ' ' LEU . 6.1 mmt-85 -145.5 144.61 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.219 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.971 HD12 ' CE3' ' A' ' 92' ' ' TRP . 21.4 mt -128.7 136.82 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.719 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -118.28 146.15 44.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 48.6 t0 -72.04 164.95 25.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 5.4 tt -105.98 -7.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.52 -43.82 3.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.53 -13.03 24.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 45.11 48.74 9.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 83' ' ' PHE . 2.5 mmtt -138.41 167.11 22.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -61.46 122.54 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 84' ' ' ASP . 13.4 mt -113.85 -11.63 12.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.971 ' CE3' HD12 ' A' ' 82' ' ' ILE . 64.0 t90 -158.05 148.81 20.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 90' ' ' LEU . 1.9 tm-20 -151.73 123.59 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.601 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.22 136.33 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.421 1.076 . . . . 0.0 110.342 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 18.4 mt-10 -105.42 86.23 2.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 HD23 ' A' ' 80' ' ' LEU . 55.8 mt -40.62 160.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 100' ' ' PHE . 2.7 p90 -117.18 161.82 18.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -50.21 149.84 2.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 45.86 63.24 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 96' ' ' LEU . 58.4 t80 -89.54 150.03 22.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.1 p -125.03 157.02 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 123.61 45.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.88 125.92 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.417 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 99.3 p -145.27 65.86 12.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -15.91 20.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.23 178.15 4.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.22 -51.34 44.83 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -142.06 43.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.589 ' HE1' ' HB1' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -137.39 113.71 10.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.979 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.417 ' CD2' ' CB ' ' A' ' 104' ' ' SER . 8.6 m170 -108.08 136.2 48.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.3 p -94.58 161.45 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' A' ' 113' ' ' ALA . 50.0 t80 -154.62 169.35 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.859 ' HB1' ' CZ ' ' A' ' 8' ' ' TYR . . . -102.47 92.94 4.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -51.38 -173.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.1 t70 -37.78 -68.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.455 0.738 . . . . 0.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.5 p -144.41 12.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 157.94 41.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.369 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.48 116.02 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.35 160.33 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.256 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.589 ' HB1' ' HE1' ' A' ' 109' ' ' PHE . . . -148.97 162.45 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.65 136.8 39.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 55.8 t-20 -129.15 118.11 21.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.464 ' CD2' HG12 ' A' ' 48' ' ' VAL . 77.9 m-85 -70.08 162.77 27.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.07 -35.92 25.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.418 ' ND2' ' OE2' ' A' ' 128' ' ' GLU . 8.0 t30 -116.05 154.81 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.395 1.059 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.3 -51.5 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.83 -50.45 66.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.7 OUTLIER -55.65 -29.27 58.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.265 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.42 -35.67 46.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -48.72 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -60.85 -29.59 69.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 128' ' ' GLU . 1.2 t80 -66.17 -57.1 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -62.62 -29.04 70.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -39.87 62.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.25 97.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.7 -56.81 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 133' ' ' ARG . 7.5 p -51.85 -43.76 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.07 -41.37 96.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.669 HD23 ' CE1' ' A' ' 78' ' ' TYR . 1.7 mp -71.0 -43.2 68.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 100' ' ' PHE . 9.5 mp -65.34 -39.3 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -67.38 -49.11 54.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.39 -40.88 94.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 110.33 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -109.96 89.95 3.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' CD2' ' CE1' ' A' ' 109' ' ' PHE . 2.8 mt -61.23 151.34 76.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.1 Cg_endo -75.05 163.47 35.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.03 137.43 21.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.519 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.01 131.74 14.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 4.4 mt-10 -99.4 137.79 20.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.2 Cg_endo -74.97 119.95 5.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -109.47 118.49 36.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.56 138.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.73 138.2 53.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 t -156.85 147.47 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -45.96 136.54 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -130.09 155.01 46.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 p -135.99 138.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.76 143.46 28.27 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.05 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 p -60.5 -22.21 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.609 1.193 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.51 53.76 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 19' ' ' LEU . 7.0 tp -89.85 -21.08 22.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.42 12.62 8.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.17 -56.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -171.4 146.37 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.05 156.65 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.247 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 m 63.3 129.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.01 -58.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.44 -129.36 4.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.8 167.56 27.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.983 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.84 113.13 1.25 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.096 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.35 148.69 51.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.787 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.73 -51.88 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 t 57.61 109.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 110.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 170.95 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.7 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t -146.76 115.92 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -174.89 104.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.76 100.24 7.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.33 77.04 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -79.64 134.96 36.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 128.12 46.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 37.1 m -113.3 136.76 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' HG2' ' A' ' 71' ' ' LYS . 26.9 m -83.23 152.3 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.669 HG23 ' SG ' ' A' ' 68' ' ' CYS . 99.2 m -90.46 169.23 11.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . 1.2 mmm -132.28 -60.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -143.62 158.49 43.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -136.71 121.86 19.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.755 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -146.13 124.07 12.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 65' ' ' GLY . 74.5 t -61.97 121.35 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -132.36 165.12 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -122.04 114.65 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -79.88 125.06 29.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.188 . . . . 0.0 109.247 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 61' ' ' LYS . 13.0 m-85 -121.38 161.29 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.2 124.38 45.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -71.0 89.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.594 1.184 . . . . 0.0 109.377 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -39.36 157.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.372 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -51.98 -55.23 21.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -60.02 -73.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.8 p 162.82 67.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 108.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -149.0 89.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 57.4 m95 -40.11 134.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 108.03 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.1 p -132.2 114.02 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.04 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -56.01 132.33 49.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.077 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -41.51 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.7 m -160.78 139.37 10.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 108.326 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.495 ' O ' HD13 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -146.55 153.71 40.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.621 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 164.24 -141.06 6.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.771 HG13 ' CD2' ' A' ' 83' ' ' PHE . 4.0 p -89.99 122.49 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.872 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -118.36 147.9 43.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HG23 ' A' ' 42' ' ' THR . 0.1 OUTLIER -152.97 149.12 27.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.044 HD12 HD21 ' A' ' 80' ' ' LEU . 3.2 tt -94.27 109.45 21.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG23 ' SG ' ' A' ' 68' ' ' CYS . 72.6 t -99.48 132.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HG2' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -107.53 137.69 45.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -69.98 165.77 21.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.6 OUTLIER -57.97 -52.39 74.82 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.3 Cg_endo -74.99 -2.18 12.2 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 44.58 26.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -71.86 -18.58 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.243 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.6 p -166.46 145.61 5.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.728 ' HB2' HD12 ' A' ' 96' ' ' LEU . 29.6 m-85 -98.0 150.36 21.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -121.67 126.88 50.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -107.19 120.22 41.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.44 150.56 40.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.923 HD12 ' CE3' ' A' ' 92' ' ' TRP . 6.7 mt -114.54 143.37 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.771 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -120.22 155.56 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -71.41 147.21 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.8 tt -93.96 -15.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -41.27 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.96 -13.01 45.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.461 ' N ' ' HB2' ' A' ' 84' ' ' ASP . . . 47.89 32.56 8.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -117.66 -168.42 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.252 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -84.52 129.67 34.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 64' ' ' SER . 5.5 mt -110.87 -27.84 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.923 ' CE3' HD12 ' A' ' 82' ' ' ILE . 73.9 t90 -162.54 147.95 12.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -149.16 127.46 12.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER -128.72 135.95 49.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.305 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' LEU . 48.1 mt-10 -103.12 87.03 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.728 HD12 ' HB2' ' A' ' 78' ' ' TYR . 24.2 mt -40.16 137.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 98' ' ' ASN . 1.3 p90 -124.45 160.19 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.7 t-20 42.38 -163.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' PHE . 53.0 p-10 -74.98 51.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.226 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.773 ' O ' HD21 ' A' ' 140' ' ' LEU . 86.0 t80 -35.44 133.71 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.91 156.95 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.632 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -119.63 114.03 21.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.0 154.7 17.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 13.5 t -155.97 71.67 5.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.52 21.45 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.549 1.815 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.438 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.64 167.9 10.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -52.27 -50.39 46.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.82 51.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.698 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 8.8 t80 -140.21 104.5 4.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.632 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 10.0 m170 -101.03 137.13 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.611 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -111.51 146.34 37.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -157.2 179.07 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 8' ' ' TYR . . . -105.88 133.84 49.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.223 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -116.31 117.96 4.06 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' CG ' HG23 ' A' ' 116' ' ' THR . 7.0 t70 56.35 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' GLY . 75.6 p -142.61 14.61 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.2 p -128.29 154.03 46.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.07 131.76 34.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.15 155.62 19.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.81 163.01 25.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.04 144.25 51.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 109' ' ' PHE . 11.4 t30 -131.87 122.62 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 60.5 m-85 -78.52 162.47 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.89 -29.13 29.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.18 153.71 38.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -76.16 -51.67 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -55.85 -49.81 72.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.8 OUTLIER -54.99 -29.64 57.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.27 -39.58 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.212 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -64.9 -41.64 95.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -72.39 -27.41 62.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.78 -56.4 19.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -63.64 -41.74 98.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.553 1.158 . . . . 0.0 110.318 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -59.92 -34.76 73.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -71.9 -49.15 40.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.401 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.5 t -55.12 -59.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 133' ' ' ARG . 80.7 p -50.53 -50.73 52.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.81 -36.0 66.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.665 HD23 ' CE1' ' A' ' 78' ' ' TYR . 2.6 mp -73.32 -48.2 36.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.773 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -60.65 -38.85 86.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.51 -48.87 74.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -44.63 94.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 72.34 -59.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.242 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -97.97 -177.5 0.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' CD ' ' CB ' ' A' ' 2' ' ' LEU . 18.5 Cg_endo -74.93 163.03 36.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.444 1.76 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.97 136.7 20.82 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.799 . . . . 0.0 111.04 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 18.3 Cg_endo -75.06 129.04 11.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.798 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.0 150.67 53.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 118.68 5.34 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -107.43 120.57 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.8 p -130.93 118.51 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.81 96.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -67.51 136.84 55.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.559 HG23 ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER 51.46 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' N ' HG23 ' A' ' 12' ' ' THR . 1.7 mmtp -150.71 176.13 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -131.39 113.95 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -102.33 144.71 29.15 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.07 -43.08 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 p -62.04 -39.93 94.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -118.14 58.79 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 16' ' ' PRO . 0.4 OUTLIER -101.3 -20.81 15.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 68.18 15.77 9.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.54 -47.5 69.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -94.42 -63.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.4 168.21 24.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.43 130.16 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.25 142.8 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.96 102.29 0.49 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.9 166.97 14.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.8 -108.81 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -127.17 170.5 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 110.067 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.21 -147.43 2.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 t -138.32 111.55 7.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.493 0.761 . . . . 0.0 110.042 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' HE1' ' A' ' 33' ' ' PHE . 6.7 tp 76.3 -70.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' HE1' HD23 ' A' ' 32' ' ' LEU . 19.1 p90 -174.36 85.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 t -179.94 105.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -136.5 54.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER 57.96 109.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.01 43.45 0.6 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.101 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.59 100.93 0.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 0.756 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -170.69 -60.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.604 ' HB2' HG12 ' A' ' 70' ' ' VAL . 8.6 p -63.04 135.27 57.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 108.342 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 70' ' ' VAL . 2.2 m -104.81 154.09 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 ' OG1' HG22 ' A' ' 70' ' ' VAL . 93.1 m -93.19 158.66 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.519 ' SD ' HD12 ' A' ' 139' ' ' LEU . 1.7 ttp -122.64 -55.86 1.8 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 p -135.06 166.14 23.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.1 p -152.75 119.49 5.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -139.72 144.78 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 66' ' ' VAL . 92.6 t -79.98 125.74 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 49' ' ' GLN . 1.2 m -148.41 166.95 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 48' ' ' VAL . 7.9 mt-30 -111.12 139.06 46.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.7 OUTLIER -95.1 121.96 37.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.651 ' N ' HD13 ' A' ' 50' ' ' LEU . 8.6 m-85 -131.35 150.55 52.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB2' HG12 ' A' ' 119' ' ' VAL . . . -126.6 136.12 52.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' ASP . . . -73.13 86.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -40.14 159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.59 55.29 0.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 178.05 38.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t 41.97 88.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 59' ' ' TRP . 1.1 tmm? 178.16 83.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.788 ' CD1' HD12 ' A' ' 2' ' ' LEU . 11.1 m95 -37.89 150.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 92.5 p -144.49 128.66 17.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.047 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -72.17 134.66 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 63' ' ' CYS . 0.0 OUTLIER -105.87 -35.08 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.485 ' CB ' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER 160.54 93.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 2.5 p -70.3 -178.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.04 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.47 -156.2 26.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.585 ' HB ' ' CD2' ' A' ' 83' ' ' PHE . 9.6 t -89.67 126.52 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.885 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -116.84 137.26 52.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.47 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 29.0 p -137.27 150.1 47.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.53 110.49 22.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.604 HG12 ' HB2' ' A' ' 40' ' ' CYS . 90.3 t -103.22 142.0 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 0.7 OUTLIER -120.27 129.3 53.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -106.3 93.3 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.88 141.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -3.61 14.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.568 1.825 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -64.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.58 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.231 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.78 -172.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.571 1.17 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.692 ' CE2' HD21 ' A' ' 139' ' ' LEU . 5.4 m-85 -117.81 160.05 22.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 11.4 m-85 -150.66 127.67 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD11 ' HZ3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -117.82 143.62 46.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.88 157.66 43.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.913 HD12 ' CE3' ' A' ' 92' ' ' TRP . 7.5 mt -109.62 143.08 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -123.24 150.8 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.611 ' CB ' HD11 ' A' ' 91' ' ' LEU . 9.0 t0 -79.91 158.04 26.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 8.6 tt -104.67 -8.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -41.25 4.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.363 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -95.14 -13.16 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.56 48.61 8.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -136.71 173.89 11.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -71.03 127.69 33.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 84' ' ' ASP . 69.1 mt -112.41 -21.63 11.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.913 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.4 t90 -163.3 147.11 10.72 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -147.42 133.06 18.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.61 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 1.3 tm0? -128.05 135.6 50.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 97' ' ' TYR . 2.0 mt-10 -98.9 83.92 3.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.543 HD12 ' CB ' ' A' ' 78' ' ' TYR . 49.3 mt -38.23 108.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.585 ' CE2' ' NE2' ' A' ' 94' ' ' GLN . 0.7 OUTLIER -120.3 161.85 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.1 t30 47.47 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 100' ' ' PHE . 43.1 p-10 -79.77 48.17 0.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.878 ' O ' HD21 ' A' ' 140' ' ' LEU . 55.5 t80 -32.06 141.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.2 p -119.23 156.9 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HE2' ' HD1' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -120.25 131.69 55.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -112.64 153.82 27.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 110' ' ' HIS . 12.3 t -159.55 77.68 2.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -14.68 20.87 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.439 1.757 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -107.52 -172.79 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.59 -56.02 5.21 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 4.8 p90 -130.39 44.23 2.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.485 ' CE2' ' HG2' ' A' ' 3' ' ' PRO . 36.2 t80 -138.35 105.59 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.506 ' HD1' ' HE2' ' A' ' 102' ' ' TYR . 9.6 m170 -100.66 135.69 41.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.526 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 2.1 p -115.8 137.45 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 13.9 p90 -153.92 173.1 16.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 112' ' ' PHE . . . -74.91 142.74 43.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -107.5 -169.99 21.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.163 . . . . 0.0 111.017 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . 63.8 t0 -38.59 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 0.813 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.9 p -122.13 -14.04 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.421 1.075 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.456 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 0.8 OUTLIER -130.1 160.46 33.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 108.333 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -74.25 127.29 32.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.711 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 16.5 m -115.63 146.42 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -114.38 154.36 28.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.626 HD12 ' CE2' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -123.67 135.56 53.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -124.73 105.13 9.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.626 ' CE2' HD12 ' A' ' 121' ' ' LEU . 90.3 m-85 -68.42 162.88 24.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.13 -33.2 19.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -118.5 152.89 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.51 -51.49 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.93 -51.19 62.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 132' ' ' PHE . 0.5 OUTLIER -56.23 -27.8 56.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -79.62 -35.96 38.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -67.8 -46.83 70.8 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 128' ' ' GLU . 0.3 OUTLIER -66.62 -26.93 67.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.806 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.92 -57.07 10.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -38.71 92.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -42.2 91.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.53 -48.77 71.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.431 HG11 ' HB2' ' A' ' 102' ' ' TYR . 20.6 t -49.44 -68.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 73.4 p -48.65 -48.25 39.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.65 -41.52 63.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.692 HD21 ' CE2' ' A' ' 78' ' ' TYR . 10.3 tt -69.56 -47.83 62.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.878 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -59.83 -35.82 75.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.7 65.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -63.9 -40.86 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 110.38 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 142' ' ' ARG . 1.9 ptm180 40.29 -160.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.247 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 143' ' ' ARG . 13.0 tm0? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -69.12 173.88 3.34 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 159.13 41.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.99 139.39 24.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.551 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 18.3 Cg_endo -75.0 132.04 14.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -114.56 148.02 39.37 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 119.55 5.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 113' ' ' ALA . 4.1 t80 -93.48 130.32 39.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.72 118.59 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.404 1.065 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 115.56 15.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.608 1.192 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' THR . 15.4 t -146.65 116.97 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 70.42 136.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.454 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 133.57 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.5 p -164.21 126.71 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.979 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 95' ' ' GLU . 25.0 m-85 -89.34 144.85 32.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 18.5 Cg_endo -74.96 -33.32 4.73 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.541 1.811 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 t -65.71 -43.0 90.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.42 53.44 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.72 -20.62 18.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 69.43 15.15 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.22 93.86 9.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -158.62 162.39 37.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.168 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -156.43 56.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -58.84 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.05 91.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.82 -86.27 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.4 t 55.56 84.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.34 -144.3 5.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.438 1.086 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 p -62.1 124.31 20.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.57 -162.87 23.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.55 79.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 2.7 pt? -170.93 144.0 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER 70.83 -61.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' CD2' ' A' ' 35' ' ' PHE . 87.5 p -41.73 117.82 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CD2' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -170.91 133.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 111.051 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt 64.77 158.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.54 149.99 6.2 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -45.38 165.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.26 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -159.48 -61.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.5 m -102.23 141.11 35.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.593 1.183 . . . . 0.0 108.256 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.798 ' O ' HG13 ' A' ' 70' ' ' VAL . 94.6 t -110.93 152.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.475 ' CG2' ' SG ' ' A' ' 68' ' ' CYS . 36.7 m -115.68 139.75 49.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -94.72 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.58 151.01 12.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 p -108.59 131.25 55.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.802 ' HB3' ' CE2' ' A' ' 132' ' ' PHE . . . -143.12 127.6 17.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 65' ' ' GLY . 94.9 t -70.18 115.31 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -133.64 162.34 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 29.4 mt-30 -112.94 122.05 46.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD21 ' HZ ' ' A' ' 112' ' ' PHE . 1.5 tm? -79.99 124.28 28.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 16.2 m-85 -130.25 156.73 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.19 134.68 52.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 5' ' ' PRO . . . -77.19 89.12 3.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 55' ' ' ARG . 42.2 t0 -39.36 145.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.185 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -39.93 -72.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' O ' ' CB ' ' A' ' 57' ' ' CYS . 1.8 m-80 -47.45 -69.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 58' ' ' MET . 1.9 p 161.83 111.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 161.27 93.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 29.1 m95 -44.88 142.24 1.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.8 p -135.44 121.4 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -59.85 120.48 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.385 1.053 . . . . 0.0 109.244 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' HB3' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -94.31 -34.11 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 174.51 115.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 108.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -108.22 166.76 10.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 47' ' ' VAL . . . 147.69 -147.06 17.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 83' ' ' PHE . 7.0 p -93.53 138.7 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.952 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -131.19 160.02 36.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.222 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' CG2' ' A' ' 42' ' ' THR . 1.7 t -149.38 135.9 19.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 108.252 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD22 ' CE ' ' A' ' 43' ' ' MET . 10.6 tt -94.65 113.21 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 41' ' ' VAL . 64.7 t -111.68 138.55 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HD2' HD21 ' A' ' 139' ' ' LEU . 1.1 tttt -127.45 123.21 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -73.68 130.84 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.588 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 0.5 OUTLIER -82.52 -47.9 0.88 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.5 Cg_endo -74.94 -44.01 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.515 1.797 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 36.4 mt-30 -82.96 0.69 43.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER 34.58 38.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 16' ' ' PRO . 83.4 p -123.17 150.76 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.663 ' HE2' HD22 ' A' ' 139' ' ' LEU . 6.6 m-85 -103.61 154.31 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -150.21 127.98 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -117.07 112.16 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 1.016 ' HB3' HD21 ' A' ' 90' ' ' LEU . 6.8 mtp180 -123.47 142.49 50.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.952 HG12 ' HB2' ' A' ' 67' ' ' ALA . 26.3 mt -109.35 143.04 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.767 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -123.91 144.17 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.607 ' OD2' HD11 ' A' ' 91' ' ' LEU . 4.7 t0 -72.58 149.17 44.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 tt -91.8 -16.15 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 -41.89 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . 15.3 t0 -84.62 -13.12 52.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 44.25 35.09 3.58 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -130.52 173.46 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.016 HD21 ' HB3' ' A' ' 81' ' ' ARG . 1.3 mt -71.25 128.52 36.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' OD2' ' A' ' 84' ' ' ASP . 16.0 mt -112.04 -22.67 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.908 ' CE3' HD12 ' A' ' 82' ' ' ILE . 57.0 t90 -158.77 147.91 18.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -149.73 132.62 16.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 31.7 tp60 -127.33 134.96 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' O ' ' CE1' ' A' ' 15' ' ' TYR . 1.3 mt-10 -95.68 75.37 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' CD1' ' HB3' ' A' ' 78' ' ' TYR . 84.2 mt -37.13 153.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.569 ' CZ ' ' CD2' ' A' ' 100' ' ' PHE . 2.4 p90 -118.37 162.47 18.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 99' ' ' ASN . 2.4 t30 -66.66 136.11 55.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' CB ' ' O ' ' A' ' 98' ' ' ASN . 1.2 t30 77.44 40.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' O ' HD21 ' A' ' 140' ' ' LEU . 36.0 t80 -82.38 145.79 29.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.34 155.7 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' ' ND1' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -120.26 133.11 55.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.183 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 110' ' ' HIS . 14.8 m-20 -113.1 122.93 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.56 ' HB3' ' CD2' ' A' ' 110' ' ' HIS . 35.8 p -135.51 64.16 57.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.5 Cg_endo -74.97 -3.05 13.35 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -114.21 169.43 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.18 -61.44 7.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 108' ' ' TYR . 46.0 p90 -134.25 44.03 2.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 122' ' ' ASN . 5.1 t80 -139.99 105.09 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 104' ' ' SER . 3.5 m170 -102.19 134.62 45.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 120' ' ' ALA . 1.3 p -104.56 133.23 49.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 50' ' ' LEU . 11.8 p90 -133.36 -177.4 4.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 8' ' ' TYR . . . -102.59 136.75 41.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 116' ' ' THR . . . -125.78 115.83 2.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.682 ' OD2' HG22 ' A' ' 116' ' ' THR . 4.1 t0 54.13 -90.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.682 HG22 ' OD2' ' A' ' 115' ' ' ASP . 2.7 t -143.7 15.14 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 17.4 p -128.27 159.17 36.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 108.392 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -78.27 133.85 37.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.34 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.65 ' CG2' ' CZ ' ' A' ' 112' ' ' PHE . 5.4 m -137.97 146.54 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.544 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -129.2 149.85 50.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.409 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.6 OUTLIER -123.24 141.3 52.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.507 ' HB3' ' CD1' ' A' ' 109' ' ' PHE . 5.4 p-10 -130.67 124.09 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.68 ' CD1' ' CB ' ' A' ' 129' ' ' ALA . 29.1 m-85 -79.5 162.53 25.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.46 -18.87 37.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.55 152.3 50.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -76.23 -51.51 11.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -54.88 -50.41 68.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 131' ' ' LYS . 5.8 mp0 -54.9 -29.65 56.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.68 ' CB ' ' CD1' ' A' ' 123' ' ' PHE . . . -81.94 -40.12 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -65.73 -36.47 83.68 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -77.22 -27.53 53.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.802 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t80 -60.98 -57.23 13.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -41.95 99.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -57.07 -39.52 75.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.39 -49.87 62.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.378 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.49 HG12 HD13 ' A' ' 140' ' ' LEU . 52.0 t -50.14 -67.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 141' ' ' GLY . 82.7 p -49.23 -46.87 46.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -52.24 -46.75 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.663 HD22 ' HE2' ' A' ' 78' ' ' TYR . 7.2 tt -69.6 -47.5 63.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.601 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -58.24 -32.14 68.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 137' ' ' THR . . . -67.9 -48.81 52.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -66.26 -42.76 88.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 71.69 -61.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 109' ' ' PHE . 4.6 mm? -61.52 159.03 35.38 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' O ' ' NE1' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.0 161.18 39.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.433 1.754 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -75.01 138.14 22.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.667 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.2 Cg_endo -75.01 129.76 12.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 118' ' ' GLN . 9.4 pt-20 -109.03 144.14 29.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.222 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 120.8 6.19 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 113' ' ' ALA . 65.6 t80 -101.1 130.88 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 11' ' ' THR . 80.1 t -119.03 136.88 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.73 131.7 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.187 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 9' ' ' VAL . 33.7 p -124.84 -63.89 1.14 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.7 t -161.03 119.17 2.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.38 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -137.51 143.88 41.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.5 138.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -110.7 147.01 35.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HG3' ' CB ' ' A' ' 98' ' ' ASN . 18.4 Cg_endo -75.04 -30.36 7.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.561 1.821 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -67.73 -34.98 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -127.19 61.82 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 109.378 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.656 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 9.6 tp -97.81 0.23 46.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 81.25 15.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.91 166.62 23.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.24 -51.89 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.34 130.93 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.53 119.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -101.87 84.94 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.49 173.94 55.19 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.78 130.41 50.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 0.728 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.28 176.7 0.35 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.3 121.18 39.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 0.803 . . . . 0.0 110.033 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.72 92.32 0.76 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.27 155.56 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -125.99 -63.55 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.9 90.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.99 80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -177.39 95.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -68.96 174.6 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.829 ' N ' HD22 ' A' ' 36' ' ' LEU . . . 115.16 -152.74 17.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -70.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.81 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.58 140.44 29.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 108.361 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -125.22 136.49 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.069 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.8 m -90.62 135.75 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.635 ' HE3' HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -90.95 -56.52 3.14 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.931 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 t -159.68 158.86 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.0 p -128.5 133.04 48.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.759 ' HB3' ' CE1' ' A' ' 132' ' ' PHE . . . -142.06 137.33 30.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 66' ' ' VAL . 85.3 t -74.51 123.78 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -146.15 165.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.492 ' CB ' ' HB3' ' A' ' 64' ' ' SER . 8.6 pt20 -118.99 120.6 37.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -79.33 131.23 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 61' ' ' LYS . 4.0 m-85 -128.71 160.03 33.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.02 127.37 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -81.39 65.94 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -126.14 -168.89 1.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.083 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.2 80.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t30 55.03 33.03 19.39 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.62 82.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 108.372 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -161.52 154.7 21.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 51.6 m95 -78.53 121.27 24.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 108.085 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -120.74 109.83 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -60.64 126.53 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.663 ' HB2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -98.6 -33.28 11.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 167.9 124.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.492 ' HB3' ' CB ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -102.69 168.23 9.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.68 -160.19 30.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.772 HG22 HG22 ' A' ' 47' ' ' VAL . 15.3 t -89.1 127.95 41.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 82' ' ' ILE . . . -120.18 140.42 51.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.5 p -135.79 143.84 45.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 108.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD21 ' HE3' ' A' ' 43' ' ' MET . 0.4 OUTLIER -98.38 122.05 41.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 41' ' ' VAL . 60.8 t -113.98 146.73 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.621 ' CD ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -133.49 117.0 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' CB ' ' HB2' ' A' ' 75' ' ' GLN . 0.5 OUTLIER -78.1 126.61 31.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.662 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER -80.35 -42.6 1.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 73' ' ' ASN . 18.1 Cg_endo -75.08 -43.52 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.565 1.824 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.526 ' HB2' ' CB ' ' A' ' 72' ' ' ASP . 19.3 mt-30 -81.06 3.48 23.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER 35.35 40.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 p -147.45 157.01 43.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.502 ' CB ' HD12 ' A' ' 96' ' ' LEU . 1.4 m-85 -111.99 166.31 11.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 85.3 m-85 -151.06 127.89 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.113 HD12 HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -98.68 115.74 29.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.492 ' HD2' HD21 ' A' ' 90' ' ' LEU . 11.6 mmt-85 -125.33 138.18 54.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.91 HD12 ' CE3' ' A' ' 92' ' ' TRP . 29.6 mt -114.0 139.72 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.708 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -119.78 137.5 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.605 ' CG ' HD11 ' A' ' 91' ' ' LEU . 21.2 t0 -71.95 159.22 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.1 tt -104.66 -9.6 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -43.23 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -93.27 -13.12 28.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 43.12 49.77 6.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -143.28 177.66 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -70.42 122.57 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' CG ' ' A' ' 84' ' ' ASP . 19.1 mt -113.02 -15.21 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.91 ' CE3' HD12 ' A' ' 82' ' ' ILE . 79.3 t90 -162.73 144.63 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -152.03 124.19 8.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.635 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.21 136.18 49.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . 26.7 mt-10 -87.66 87.92 7.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.113 HD21 HD12 ' A' ' 80' ' ' LEU . 87.2 mt -37.84 151.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -90.79 161.15 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.461 ' CB ' ' HG3' ' A' ' 16' ' ' PRO . 45.8 t-20 -49.34 -59.26 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.93 53.14 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.996 ' O ' HD21 ' A' ' 140' ' ' LEU . 19.0 t80 -50.55 131.94 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.55 150.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.446 ' CE2' HG21 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -114.92 134.37 55.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -108.24 126.09 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -134.65 94.11 17.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.044 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -28.14 9.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -63.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.427 ' O ' ' NE2' ' A' ' 110' ' ' HIS . . . 148.76 -48.35 0.61 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.611 1.194 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.6 ' CE1' ' OD1' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -91.84 -1.85 57.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.93 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 2' ' ' LEU . 9.2 t80 -138.77 103.89 4.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 6.3 m170 -98.28 146.06 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -119.24 161.79 19.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.618 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 4.8 p90 -171.18 173.63 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.591 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . . . -96.72 129.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -114.4 118.76 4.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.507 ' OD1' HG23 ' A' ' 116' ' ' THR . 4.6 t70 59.33 -91.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' OD1' ' A' ' 115' ' ' ASP . 69.2 p -136.27 8.17 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.9 t -128.76 157.93 40.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 6' ' ' GLU . 7.5 tt0 -81.96 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.618 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.0 m -128.99 148.87 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.6 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -123.81 151.42 43.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -120.49 138.25 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 108' ' ' TYR . 2.8 t-20 -131.74 116.29 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.693 ' CD2' ' CB ' ' A' ' 129' ' ' ALA . 51.8 m-85 -73.62 160.21 31.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.85 46.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -134.15 156.04 49.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -76.12 -51.26 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -50.04 67.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 1.4 mt-10 -55.0 -28.74 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.693 ' CB ' ' CD2' ' A' ' 123' ' ' PHE . . . -79.34 -39.23 33.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -46.15 82.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -67.1 -27.27 67.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -63.13 -56.76 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.087 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.849 ' O ' HG23 ' A' ' 137' ' ' THR . 0.1 OUTLIER -65.52 -28.86 69.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -34.7 71.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -72.02 -49.2 38.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 102' ' ' TYR . 11.2 t -56.4 -58.06 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.242 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 133' ' ' ARG . 45.6 p -50.65 -49.95 55.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.387 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -43.92 70.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.621 HD11 ' CD ' ' A' ' 71' ' ' LYS . 9.9 tt -67.77 -46.21 72.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.996 HD21 ' O ' ' A' ' 100' ' ' PHE . 8.0 mp -59.96 -38.73 83.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -64.46 -44.84 94.67 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -67.16 -44.33 80.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 65.67 141.11 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.592 HD23 ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -99.2 161.16 25.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.592 ' HD2' HD23 ' A' ' 2' ' ' LEU . 18.2 Cg_endo -75.04 163.16 35.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.761 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.02 137.77 22.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' CB ' ' HB1' ' A' ' 53' ' ' ALA . 18.4 Cg_endo -74.96 135.57 19.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.91 138.29 26.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 120.94 6.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -126.27 125.17 41.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.6 t -112.67 145.59 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.75 108.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -113.99 154.9 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -64.75 105.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.379 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.63 162.57 15.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.5 p -146.76 127.45 14.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -110.5 144.14 29.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -60.31 -43.66 96.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.13 63.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.7 tp -86.16 8.29 21.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 19' ' ' LEU . . . 72.86 17.16 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.595 1.185 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 151.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.49 88.53 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -158.66 110.66 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.0 p -147.18 109.63 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.66 -56.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.384 1.052 . . . . 0.0 110.323 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.67 174.37 20.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 t -69.81 130.05 41.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.77 122.6 0.74 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.1 t -153.74 134.75 13.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 110.057 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.1 62.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.469 1.106 . . . . 0.0 111.083 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 t -80.4 110.29 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.948 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.68 176.85 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 57.56 162.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.394 1.059 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 35' ' ' PHE . 2.0 m 47.72 81.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -178.09 95.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -155.21 125.1 6.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.25 -114.75 0.36 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -168.59 -76.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.92 139.32 2.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' ' 70' ' ' VAL . 19.7 p -78.77 138.29 38.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 108.303 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -100.01 153.67 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.6 m -89.16 169.39 11.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 mmm -133.52 -70.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.968 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 p -130.6 161.99 30.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.055 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 m -145.0 119.79 9.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.109 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.77 ' HB3' ' HE2' ' A' ' 132' ' ' PHE . . . -147.15 142.06 26.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 66.8 t -73.43 123.35 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 2.1 m -134.62 164.27 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -113.27 119.48 37.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -78.54 120.59 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' N ' HD13 ' A' ' 50' ' ' LEU . 32.5 m-85 -125.29 149.65 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' SER . . . -119.32 122.4 41.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB1' ' CB ' ' A' ' 5' ' ' PRO . . . -77.92 88.82 4.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -39.79 158.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -47.85 -54.98 10.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -57.74 -84.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' CB ' ' HG2' ' A' ' 5' ' ' PRO . 2.0 p 173.74 61.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' TRP . 64.2 mmm -143.44 93.28 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 120' ' ' ALA . 55.3 m95 -41.66 136.35 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -126.88 97.75 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.975 -179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.56 137.27 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -108.75 -42.28 4.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.396 1.06 . . . . 0.0 109.34 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER 170.63 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 108.324 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -110.81 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.81 -149.48 15.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.583 1.177 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.582 ' HB ' ' CE2' ' A' ' 83' ' ' PHE . 3.4 t -89.2 121.39 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG1' ' A' ' 82' ' ' ILE . . . -110.69 132.71 53.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.443 ' SG ' ' CZ ' ' A' ' 83' ' ' PHE . 28.6 p -127.81 142.35 51.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 108.61 20.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' ' 40' ' ' CYS . 55.4 t -99.03 128.97 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -122.3 111.69 17.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.919 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -78.4 -177.32 5.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.1 m120 -35.83 152.42 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -2.12 12.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -108.85 -7.62 15.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -100.9 -76.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 76' ' ' ARG . 1.4 t 156.09 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.16 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.6 ' HB2' HD12 ' A' ' 96' ' ' LEU . 18.7 m-30 -98.87 170.75 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 40.1 m-85 -145.74 137.36 25.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 111.056 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 ' HB2' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -121.67 125.65 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.7 158.28 43.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.987 HD12 ' CE3' ' A' ' 92' ' ' TRP . 1.1 mp -126.22 143.82 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.713 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -121.56 149.74 42.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 1.008 ' N ' HD21 ' A' ' 91' ' ' LEU . 23.6 t0 -92.18 136.92 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 tt -86.64 11.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -112.68 -41.58 3.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -107.08 -14.83 14.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 84' ' ' ASP . . . 63.96 16.01 58.99 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.88 173.05 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.381 0.695 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -84.74 134.03 34.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD21 ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -112.52 -13.5 13.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.987 ' CE3' HD12 ' A' ' 82' ' ' ILE . 87.2 t90 -149.21 141.04 23.65 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 122.63 8.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.583 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . 0.0 OUTLIER -129.59 136.14 49.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' PHE . 2.5 tt0 -95.59 90.29 5.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 78' ' ' TYR . 5.7 mt -37.84 136.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -121.3 161.84 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -63.14 144.72 56.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 74.34 45.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.867 ' O ' HD21 ' A' ' 140' ' ' LEU . 25.3 t80 -99.19 135.58 40.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.04 156.78 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.742 ' OH ' HD11 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -120.11 116.8 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.77 153.56 17.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 110' ' ' HIS . 59.5 p -167.07 63.88 0.72 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.022 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 104' ' ' SER . 18.3 Cg_endo -74.97 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -112.55 179.51 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.31 -58.78 9.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 7.3 p90 -139.03 49.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CE1' ' HB1' ' A' ' 120' ' ' ALA . 13.7 t80 -141.08 104.62 4.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.611 ' ND1' ' CE2' ' A' ' 102' ' ' TYR . 19.2 m170 -98.21 134.89 40.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 p -113.63 148.81 35.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.849 ' CZ ' HG23 ' A' ' 119' ' ' VAL . 8.7 p90 -159.97 175.76 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -88.57 141.9 28.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 117' ' ' CYS . . . -99.11 -171.94 31.19 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLY . 1.0 OUTLIER -40.05 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.364 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 t -121.62 -8.13 9.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.425 ' O ' ' CA ' ' A' ' 114' ' ' GLY . 31.2 p -129.42 160.52 32.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 108.324 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.71 142.65 36.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.849 HG23 ' CZ ' ' A' ' 112' ' ' PHE . 6.8 m -138.32 156.93 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 59' ' ' TRP . . . -127.07 155.26 43.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.742 HD11 ' OH ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -126.07 130.64 51.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 109' ' ' PHE . 51.9 t30 -121.21 121.99 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 129' ' ' ALA . 56.9 m-85 -78.01 162.77 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -88.72 -14.66 36.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.48 156.12 47.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.23 -51.71 11.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -53.17 -50.43 64.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.268 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 131' ' ' LYS . 9.8 mt-10 -55.07 -28.97 56.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' A' ' 123' ' ' PHE . . . -79.15 -37.33 38.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -67.35 -46.16 74.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.42 ' CG ' ' HA ' ' A' ' 128' ' ' GLU . 0.0 OUTLIER -65.94 -27.37 68.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . 0.77 ' HE2' ' HB3' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -65.48 -57.11 9.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 137' ' ' THR . 0.0 OUTLIER -60.15 -28.13 67.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -31.46 66.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.43 -53.39 9.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.602 HG11 ' HB2' ' A' ' 102' ' ' TYR . 4.6 t -51.23 -62.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 133' ' ' ARG . 47.6 p -49.29 -48.86 45.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.3 -39.09 63.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.393 1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.8 -48.15 55.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.621 1.201 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.867 HD21 ' O ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -61.13 -35.33 76.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.91 -48.82 81.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.27 -41.28 97.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.62 136.04 11.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 110.256 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.316 -179.998 . . . . . . . . 0 0 . 1 stop_ save_