data_2lxo_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 2lxo _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 6' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 30' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.277 -0.638 . . . . 74.299999999999997 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 75.219999999999999 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 74.019999999999996 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.349999999999994 108.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.326 -0.99 . . . . 74.519999999999996 108.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.400000000000006 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.559 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 73.209999999999994 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.420000000000002 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 71.319999999999993 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.219999999999999 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 70.150000000000006 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.420000000000002 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.299999999999997 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 38' ' ' THR . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.229999999999997 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 71.109999999999999 109.325 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.200000000000003 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.329999999999998 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.109999999999999 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 71.310000000000002 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.129999999999995 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.009999999999998 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.430000000000007 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.285 -0.635 . . . . 73.310000000000002 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.672 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.450000000000003 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 108.339 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.307 -0.997 . . . . 64.239999999999995 108.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.019999999999996 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.559 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.109999999999999 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.439999999999998 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.549999999999997 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.230000000000004 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 75.140000000000001 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 74.25 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.510000000000005 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 6' ' ' LEU . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.329999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 71.450000000000003 110.378 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' THR . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 71.109999999999999 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 74.200000000000003 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.450000000000003 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.299999999999997 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.129999999999995 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 73.540000000000006 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.59 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.61 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 74.549999999999997 109.308 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 74.519999999999996 109.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.030000000000001 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 108.263 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 72.120000000000005 108.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 75.409999999999997 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.562 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 72.329999999999998 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.310000000000002 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.030000000000001 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.120000000000005 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 28' ' ' LYS . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.140000000000001 110.988 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.439999999999998 110.394 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 108.32 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 64.310000000000002 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.209999999999994 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.439999999999998 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.019999999999996 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.229999999999997 110.367 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.310000000000002 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 75.310000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.32 -0.622 . . . . 72.430000000000007 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 73.420000000000002 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.519999999999996 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 73.400000000000006 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 108.306 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.312 -0.995 . . . . 63.210000000000001 108.312 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 73.129999999999995 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.099999999999994 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 50.130000000000003 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 74.420000000000002 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 74.340000000000003 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.439999999999998 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.49 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 28' ' ' LYS . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.129999999999995 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 70.540000000000006 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 61.020000000000003 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.209999999999994 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 74.230000000000004 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.409999999999997 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.510000000000005 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.530000000000001 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 72.329999999999998 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 62.049999999999997 109.327 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.420000000000002 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.400000000000006 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.420000000000002 108.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.287 -1.005 . . . . 71.140000000000001 108.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.510000000000005 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 72.109999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.510000000000005 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.420000000000002 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.219999999999999 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.340000000000003 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.140000000000001 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.299999999999997 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 75.319999999999993 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.491 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.340000000000003 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 108.257 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.129999999999995 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.200000000000003 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.439999999999998 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 62.450000000000003 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.304 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.306 -0.627 . . . . 74.439999999999998 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.540000000000006 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.030000000000001 108.28 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' SG ' ' HB ' ' A' ' 38' ' ' THR . 13.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.259 -1.015 . . . . 64.340000000000003 108.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.505 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 63.439999999999998 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.400000000000006 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.219999999999999 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 75.400000000000006 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.150000000000006 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 65.319999999999993 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 74.340000000000003 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 75.510000000000005 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.439999999999998 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 110.975 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.510000000000005 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 74.340000000000003 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 72.299999999999997 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 75.239999999999995 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.310000000000002 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 109.283 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 73.409999999999997 109.309 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 72.510000000000005 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 75.209999999999994 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 108.312 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 27.4 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.317 -0.994 . . . . 74.099999999999994 108.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.150000000000006 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.219999999999999 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.519999999999996 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.420000000000002 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.439999999999998 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 74.329999999999998 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.430000000000007 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HB ' ' CB ' ' A' ' 40' ' ' CYS . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.129999999999995 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 75.409999999999997 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.530000000000001 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.209999999999994 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.319999999999993 111.028 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.349999999999994 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.483 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 54.520000000000003 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.219999999999999 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 73.340000000000003 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.659 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.296 -0.631 . . . . 74.219999999999999 109.296 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.519 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.519999999999996 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.099999999999994 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 73.400000000000006 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 8' ' ' LYS . 4.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 108.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 1.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.3 -1.0 . . . . 73.099999999999994 108.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.409999999999997 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.523 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.274 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.040000000000006 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.140000000000001 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.230000000000004 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.439999999999998 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 75.420000000000002 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.310000000000002 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.442 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.540000000000006 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 39' ' ' LYS . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 72.420000000000002 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.209999999999994 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 108.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.239999999999995 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 75.109999999999999 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.349999999999994 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.020000000000003 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.319999999999993 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.605 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.109999999999999 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.329999999999998 108.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.655 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.530000000000001 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.140000000000001 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 74.409999999999997 109.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.010000000000005 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 73.519999999999996 108.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 74.109999999999999 108.322 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.547 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 73.439999999999998 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.402 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.040000000000006 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.239999999999995 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 109.308 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 71.400000000000006 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 64.519999999999996 110.39 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 108.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.420000000000002 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.230000000000004 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.439999999999998 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 52.420000000000002 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.540000000000006 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.641 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 11.4 mmtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.439999999999998 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 11' ' ' CYS . 3.5 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 71.019999999999996 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 64.349999999999994 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 108.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.328 -0.99 . . . . 74.340000000000003 108.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.240000000000002 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.554 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.030000000000001 109.289 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.319999999999993 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.310000000000002 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.150000000000006 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 74.549999999999997 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.049999999999997 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.349999999999994 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.519999999999996 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.150000000000006 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.420000000000002 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 71.540000000000006 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.200000000000003 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 75.540000000000006 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.329999999999998 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 71.25 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.313 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.283 -0.636 . . . . 71.239999999999995 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.409999999999997 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 73.530000000000001 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.019999999999996 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 108.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.269 -1.011 . . . . 70.140000000000001 108.269 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 74.519999999999996 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.499 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 64.319999999999993 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 74.340000000000003 109.322 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.409999999999997 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.329999999999998 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.450000000000003 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.548 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.120000000000005 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.140000000000001 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.149999999999999 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.310000000000002 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 74.129999999999995 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 72.219999999999999 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.019999999999996 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 75.519999999999996 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.62 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 63.210000000000001 109.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' CA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 74.299999999999997 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 73.239999999999995 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.467 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 64.519999999999996 108.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.31 -0.996 . . . . 71.430000000000007 108.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.120000000000005 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 72.319999999999993 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.420000000000002 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 74.25 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.099999999999994 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 75.030000000000001 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.430000000000007 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.497 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 HG21 ' CB ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.030000000000001 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' THR . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 65.040000000000006 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.329999999999998 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 75.129999999999995 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' CYS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.400000000000006 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.209999999999994 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 63.530000000000001 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.540000000000006 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.310000000000002 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.626 . . . . 75.310000000000002 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 24.6 mm100 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.430000000000007 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.664 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 75.120000000000005 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.099999999999994 108.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 39' ' ' LYS . 73.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.317 -0.994 . . . . 74.430000000000007 108.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 73.420000000000002 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.524 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 74.129999999999995 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 75.140000000000001 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.129999999999995 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.130000000000003 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.319999999999993 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.019999999999996 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.409999999999997 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.450000000000003 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.120000000000005 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.120000000000005 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 73.219999999999999 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.420000000000002 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.243 -0.651 . . . . 72.530000000000001 109.243 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.604 ' OE1' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.487 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 75.340000000000003 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.25 108.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.304 -0.999 . . . . 53.149999999999999 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 71.430000000000007 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.498 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.420000000000002 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.430000000000007 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.019999999999996 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.549999999999997 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.120000000000005 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.340000000000003 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 64.349999999999994 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 75.340000000000003 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.230000000000004 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 74.439999999999998 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 74.439999999999998 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.71 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.140000000000001 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 75.209999999999994 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 74.040000000000006 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.519999999999996 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.219999999999999 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 108.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 65.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.34 -0.985 . . . . 74.310000000000002 108.34 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.349999999999994 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.541 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.310000000000002 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 71.400000000000006 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.200000000000003 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 73.439999999999998 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.340000000000003 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.219999999999999 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.409999999999997 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.420000000000002 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.478 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.040000000000006 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 6' ' ' LEU . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.430000000000007 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 54.350000000000001 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.439999999999998 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.310000000000002 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.100000000000001 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.349999999999994 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 74.129999999999995 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 74.120000000000005 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.430000000000007 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 3.0 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 74.049999999999997 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 15.7 mm100 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 75.5 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 64.540000000000006 108.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 24.9 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.273 -1.01 . . . . 75.319999999999993 108.273 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.618 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.509 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 54.329999999999998 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.432 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.430000000000007 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.349999999999994 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 63.420000000000002 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.439999999999998 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.319999999999993 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 63.049999999999997 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 72.25 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 73.549999999999997 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LYS . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.450000000000003 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 75.319999999999993 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.540000000000006 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.049999999999997 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.409999999999997 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 65.319999999999993 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 75.140000000000001 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.420000000000002 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.420000000000002 109.336 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.256 -0.646 . . . . 74.430000000000007 109.256 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.457 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.510000000000005 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.688 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.019999999999996 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 65.239999999999995 108.346 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 73.230000000000004 108.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.430000000000007 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.491 ' C ' ' CG2' ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.010000000000005 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.491 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.019999999999996 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.219999999999999 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 71.129999999999995 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 75.049999999999997 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.099999999999994 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.549999999999997 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 72.549999999999997 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.523 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.230000000000004 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.349999999999994 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.439999999999998 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.230000000000004 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.400000000000006 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.409999999999997 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.030000000000001 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 65.010000000000005 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.400000000000006 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.285 -0.635 . . . . 74.510000000000005 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.485 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.109999999999999 108.282 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.346 -0.983 . . . . 71.400000000000006 108.346 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.019999999999996 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.561 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.299999999999997 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.349999999999994 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 75.239999999999995 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 74.530000000000001 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.510000000000005 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.219999999999999 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 64.019999999999996 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 73.040000000000006 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.252 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.400000000000006 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.539999999999999 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.150000000000006 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 70.430000000000007 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.219999999999999 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 108.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.430000000000007 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.268 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 63.32 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.340000000000003 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 72.219999999999999 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.44 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 108.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.347 -0.982 . . . . 73.329999999999998 108.347 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.200000000000003 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.548 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.109999999999999 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.319999999999993 109.27 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.130000000000003 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.319999999999993 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.494 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.430000000000007 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.200000000000003 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.329999999999998 109.264 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 63.210000000000001 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 74.420000000000002 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 73.209999999999994 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.239999999999995 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.549999999999997 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 11' ' ' CYS . 2.7 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.268 -0.642 . . . . 72.049999999999997 109.268 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.584 ' HG3' ' CE ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 74.25 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 70.510000000000005 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 108.337 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.279 -1.008 . . . . 53.399999999999999 108.279 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.521 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 74.400000000000006 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.140000000000001 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 73.140000000000001 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 70.049999999999997 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 73.019999999999996 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 71.150000000000006 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.140000000000001 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 72.230000000000004 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.340000000000003 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.209999999999994 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 63.229999999999997 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 74.219999999999999 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.099999999999994 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.329999999999998 110.944 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.409999999999997 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.466 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.209999999999994 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.664 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 73.540000000000006 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 109.297 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 51.329999999999998 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 mt -112.94 118.79 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 74.129999999999995 109.272 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -74.88 178.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.25 109.298 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -169.44 80.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 72.099999999999994 109.327 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' LEU . 37.9 p -110.32 55.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 72.409999999999997 110.425 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 30' ' ' ILE . 1.2 pp -39.44 131.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.299999999999997 109.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 75.219999999999999 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 74.019999999999996 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.030000000000001 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.23 114.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.349999999999994 108.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 79.61 141.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 73.420000000000002 110.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.29 86.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 74.400000000000006 109.256 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -153.13 -155.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 72.010000000000005 110.264 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.55 -27.46 0.3 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.13 . . . . 73.219999999999999 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' ARG . . . -172.51 120.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 73.120000000000005 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -66.37 -32.75 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 109.317 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.0 m -131.72 163.34 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.519999999999996 108.326 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.400000000000006 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 73.209999999999994 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.239999999999995 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.420000000000002 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.239999999999995 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.420000000000002 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 74.310000000000002 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 71.319999999999993 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 74.219999999999999 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 70.150000000000006 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.420000000000002 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.299999999999997 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' CB ' HD11 ' A' ' 17' ' ' ILE . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.229999999999997 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 71.109999999999999 109.325 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.200000000000003 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.329999999999998 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.109999999999999 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 71.310000000000002 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.129999999999995 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.009999999999998 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 113.77 9.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.430000000000007 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -42.03 155.54 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 109.279 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 63.329999999999998 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 75.540000000000006 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -53.74 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 71.420000000000002 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -52.73 -24.22 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 73.129999999999995 109.309 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.59 140.6 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 75.329999999999998 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' LEU . 18.4 p -125.15 101.55 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.299999999999997 110.395 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -39.52 131.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 109.285 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 73.340000000000003 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.672 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.450000000000003 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -41.48 108.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.430000000000007 108.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -146.79 155.32 42.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.336 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.439999999999998 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -100.64 45.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 65.439999999999998 110.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.64 -130.74 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 61.25 110.958 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . -99.14 -143.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 54.130000000000003 109.269 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 HD13 ' CA ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -107.36 -56.18 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 74.409999999999997 109.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' N ' HG13 ' A' ' 17' ' ' ILE . 78.1 m -126.18 167.23 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 64.239999999999995 108.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 74.019999999999996 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.109999999999999 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 73.439999999999998 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.65 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 73.030000000000001 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.549999999999997 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.230000000000004 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 75.140000000000001 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 74.25 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.510000000000005 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 73.450000000000003 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 6' ' ' LEU . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 71.329999999999998 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 71.450000000000003 110.378 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' THR . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 71.109999999999999 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 74.200000000000003 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.450000000000003 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.299999999999997 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.129999999999995 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 73.540000000000006 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.59 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.61 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -65.4 175.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 74.549999999999997 109.308 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -168.0 86.02 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 72.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 74.5 111.046 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 71.129999999999995 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.0 115.34 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 74.400000000000006 109.313 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -139.82 128.49 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.285 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.62 156.12 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 23.6 m -137.11 33.97 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 74.049999999999997 110.377 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 5' ' ' THR . 2.0 tp 163.43 131.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 74.519999999999996 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.030000000000001 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.400000000000006 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 74.319999999999993 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.96 136.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 71.319999999999993 108.263 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.9 ttt180 83.98 33.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 75.430000000000007 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t 54.66 170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.109999999999999 109.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.22 164.16 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 75.519999999999996 110.274 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 16' ' ' ALA . . . 52.96 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.117 . . . . 63.32 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . 83.83 26.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 71.549999999999997 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' CD1' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -60.09 -15.82 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 64.420000000000002 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' CD1' ' A' ' 17' ' ' ILE . 1.5 p -153.75 166.83 31.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.120000000000005 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 75.409999999999997 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 72.329999999999998 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.310000000000002 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 75.439999999999998 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.030000000000001 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.349999999999994 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 73.239999999999995 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 70.120000000000005 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 28' ' ' LYS . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.140000000000001 110.988 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.439999999999998 110.394 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.230000000000004 108.32 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 64.310000000000002 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.209999999999994 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.439999999999998 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.019999999999996 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.229999999999997 110.367 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.310000000000002 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 75.310000000000002 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 154.58 25.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 71.129999999999995 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 157.65 77.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 75.340000000000003 109.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 75.129999999999995 110.977 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 51.100000000000001 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm 67.99 100.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 71.209999999999994 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.83 -91.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 72.030000000000001 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 134.53 43.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 75.219999999999999 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 17.1 m -129.75 -73.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 71.5 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.71 121.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 72.430000000000007 109.32 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 73.420000000000002 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.519999999999996 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 73.400000000000006 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -42.75 129.48 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 108.306 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 69.8 141.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 110.308 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 14' ' ' ARG . 5.9 t -150.0 162.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 64.239999999999995 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER 66.44 101.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.41 -51.25 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 65.299999999999997 111.022 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 171.18 105.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 64.439999999999998 109.312 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG1' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -49.75 -33.02 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 109.259 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -151.83 171.7 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 63.210000000000001 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 73.129999999999995 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.099999999999994 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.329999999999998 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 50.130000000000003 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 74.420000000000002 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 74.340000000000003 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.439999999999998 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.49 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.209999999999994 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 28' ' ' LYS . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.129999999999995 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 70.540000000000006 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 61.020000000000003 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.209999999999994 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 74.230000000000004 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.319999999999993 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.409999999999997 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.597 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 72.510000000000005 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.530000000000001 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 72.329999999999998 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -68.88 167.82 14.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.22 76.9 4.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.329999999999998 110.994 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 63.210000000000001 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 tp -158.61 138.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 65.319999999999993 109.342 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -63.06 147.33 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.52 41.68 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 74.200000000000003 109.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -111.83 84.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.340000000000003 110.416 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -169.38 142.59 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 62.049999999999997 109.327 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 73.420000000000002 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.400000000000006 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 74.109999999999999 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -52.62 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.420000000000002 108.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.43 ' CG ' HG22 ' A' ' 17' ' ' ILE . 8.0 mtt-85 -89.39 178.61 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.129999999999995 110.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -175.36 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.120000000000005 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.24 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 110.355 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -142.2 45.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 73.140000000000001 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.55 104.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 74.010000000000005 109.309 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -68.61 156.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.030000000000001 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' ILE . 20.8 m 60.62 152.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 71.140000000000001 108.287 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.510000000000005 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 72.109999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.510000000000005 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.420000000000002 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.219999999999999 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.340000000000003 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.140000000000001 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 73.530000000000001 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.299999999999997 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 75.319999999999993 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.491 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.340000000000003 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' SG ' ' CG1' ' A' ' 17' ' ' ILE . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.010000000000005 108.257 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 75.420000000000002 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.129999999999995 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.120000000000005 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.200000000000003 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 74.439999999999998 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 62.450000000000003 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.32 179.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 159.48 30.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 62.140000000000001 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 75.329999999999998 110.989 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.997 -0.841 . . . . 73.329999999999998 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.0 pt -153.94 130.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 73.450000000000003 109.31 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.3 26.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 75.439999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -133.87 79.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 72.150000000000006 109.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' LEU . 2.6 t -155.82 145.05 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.24 136.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 74.439999999999998 109.306 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.150000000000006 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.209999999999994 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.540000000000006 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 65.120000000000005 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -47.96 101.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 73.030000000000001 108.28 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.38 -151.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.510000000000005 110.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 13.1 t 72.5 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.310000000000002 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER 83.73 25.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 73.450000000000003 110.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' ALA . . . 63.03 111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 111.041 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' GLY . . . 61.6 144.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 72.329999999999998 109.311 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -66.7 -146.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 73.310000000000002 109.283 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 p -35.01 145.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 64.340000000000003 108.259 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 63.439999999999998 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 74.439999999999998 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.400000000000006 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.219999999999999 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 75.400000000000006 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.150000000000006 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 65.319999999999993 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 74.340000000000003 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 75.510000000000005 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.439999999999998 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 110.975 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.587 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.510000000000005 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 74.340000000000003 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.409999999999997 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.435 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 72.299999999999997 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 75.239999999999995 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.310000000000002 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -58.21 125.24 22.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.66 -51.84 78.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 75.239999999999995 109.259 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 75.209999999999994 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 74.430000000000007 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 tp -142.92 141.33 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 70.430000000000007 109.266 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 4.0 mt -141.59 149.19 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 70.129999999999995 109.303 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 30.4 t30 80.11 56.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -120.17 -51.5 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 75.409999999999997 110.39 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER 47.72 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 73.409999999999997 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 72.510000000000005 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.530000000000001 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 75.209999999999994 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.120000000000005 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -40.24 110.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.450000000000003 108.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.441 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -137.43 135.53 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.329999999999998 110.324 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' N ' HD11 ' A' ' 6' ' ' LEU . 8.5 p -112.88 -13.91 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 63.439999999999998 109.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . -80.85 -172.42 45.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 63.039999999999999 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -40.45 127.51 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 73.420000000000002 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -44.88 -44.6 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 74.140000000000001 109.294 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 27.4 p -131.01 159.87 36.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 74.099999999999994 108.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.150000000000006 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.219999999999999 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.519999999999996 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.450000000000003 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.420000000000002 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.439999999999998 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 74.109999999999999 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 74.329999999999998 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 75.239999999999995 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' CG ' ' HE2' ' A' ' 39' ' ' LYS . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.430000000000007 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.44 ' HB ' ' CB ' ' A' ' 40' ' ' CYS . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.129999999999995 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 75.409999999999997 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.530000000000001 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 73.209999999999994 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.319999999999993 111.028 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.120000000000005 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.349999999999994 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.140000000000001 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.483 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 54.520000000000003 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.219999999999999 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 73.340000000000003 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.659 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.409999999999997 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 122.56 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 71.340000000000003 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 3.2 mmtm -53.57 -55.93 30.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 75.019999999999996 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 72.430000000000007 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 62.119999999999997 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -132.65 85.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 73.140000000000001 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -131.54 105.01 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 74.030000000000001 109.247 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 2.1 m-20 61.4 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 74.450000000000003 109.299 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 30.9 p -149.77 -61.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.219999999999999 110.384 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 163.4 137.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.519 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.519999999999996 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.439999999999998 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 74.099999999999994 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 73.400000000000006 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 12' ' ' ARG . 4.0 t -46.0 162.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 108.262 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 1.7 mmp_? 64.33 17.4 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 74.430000000000007 110.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 4' ' ' ASN . 3.3 t 62.34 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 72.540000000000006 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 159.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.39 -102.56 2.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.121 . . . . 54.549999999999997 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.0 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 73.400000000000006 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -63.34 -139.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 74.019999999999996 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 1.2 p -42.08 162.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 73.099999999999994 108.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.409999999999997 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.523 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.409999999999997 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 71.239999999999995 109.274 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.040000000000006 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.140000000000001 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.230000000000004 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 73.439999999999998 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 75.420000000000002 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.310000000000002 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.109999999999999 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 74.510000000000005 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.540000000000006 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 39' ' ' LYS . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 72.420000000000002 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.209999999999994 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' HG13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.120000000000005 108.343 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.239999999999995 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 75.109999999999999 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.349999999999994 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.020000000000003 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.319999999999993 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.605 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.109999999999999 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.329999999999998 108.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.655 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 74.530000000000001 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.93 139.08 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 70.140000000000001 109.345 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 169.95 -57.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 74.049999999999997 109.304 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.532 1.806 . . . . 73.140000000000001 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.023 -0.831 . . . . 54.130000000000003 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 3' ' ' ILE . 0.5 OUTLIER 45.84 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 72.150000000000006 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.413 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.8 mp -133.41 109.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.439999999999998 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -132.88 142.57 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 73.340000000000003 109.285 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.0 m -73.19 -103.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 71.239999999999995 110.414 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -174.38 141.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.314 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 74.420000000000002 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.010000000000005 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -55.07 107.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 73.519999999999996 108.301 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 179.51 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.5 110.292 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -165.81 -59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 75.540000000000006 109.273 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -148.07 -91.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 110.34 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.53 0.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 44.450000000000003 110.944 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.96 -167.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 75.109999999999999 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 HG13 ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -89.9 -37.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 72.519999999999996 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -135.15 170.12 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 74.109999999999999 108.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.547 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 73.439999999999998 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.402 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.209999999999994 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.040000000000006 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 72.239999999999995 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 74.400000000000006 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.400000000000006 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 74.430000000000007 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 109.308 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 71.400000000000006 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 64.519999999999996 110.39 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.099999999999994 108.278 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.420000000000002 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.230000000000004 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.439999999999998 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 52.420000000000002 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.540000000000006 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.641 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 11.4 mmtp -124.75 179.11 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.439999999999998 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.57 85.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.219999999999999 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 70.340000000000003 111.015 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 74.030000000000001 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.04 60.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 72.319999999999993 109.322 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 mm -81.3 -85.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 109.267 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.49 106.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' LEU . 27.3 m -91.11 117.57 29.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.329999999999998 110.416 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 11' ' ' CYS . 3.5 tt -37.65 119.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.019999999999996 109.326 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 64.349999999999994 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.040000000000006 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.409999999999997 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -43.25 -28.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 108.3 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 15.9 mmt180 -123.59 73.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.340000000000003 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 10' ' ' TYR . 2.8 t -74.37 -45.12 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.049999999999997 109.274 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -39.37 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.420000000000002 110.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.38 -86.75 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.117 . . . . 62.450000000000003 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ILE . . . -137.93 127.83 25.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 75.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 HD11 ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -38.5 -40.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.349999999999994 109.246 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 8.6 p -145.81 161.96 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 74.340000000000003 108.328 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.240000000000002 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.554 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 74.030000000000001 109.289 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.530000000000001 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.319999999999993 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.310000000000002 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 75.319999999999993 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.150000000000006 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.140000000000001 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 74.549999999999997 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.209999999999994 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.049999999999997 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.349999999999994 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.519999999999996 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.150000000000006 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.420000000000002 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 71.540000000000006 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.200000000000003 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 75.540000000000006 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.329999999999998 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 71.25 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 101.25 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.430000000000007 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -165.64 67.07 1.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 63.25 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 70.540000000000006 110.98 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.025 -0.83 . . . . 63.329999999999998 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 tt -166.53 -49.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 72.340000000000003 109.308 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -154.07 57.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 75.030000000000001 109.271 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -134.78 130.16 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 74.439999999999998 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -137.66 14.65 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 65.530000000000001 110.412 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 80.35 148.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 71.239999999999995 109.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.409999999999997 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 73.530000000000001 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.019999999999996 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 74.540000000000006 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' N ' HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -41.24 121.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 108.284 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -85.81 159.21 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 110.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.74 -100.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 75.120000000000005 109.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -144.41 96.11 2.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 72.140000000000001 110.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 16' ' ' ALA . . . 55.28 107.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 51.200000000000003 110.981 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . 79.21 135.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 52.549999999999997 109.25 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.504 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -106.8 137.28 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 74.109999999999999 109.305 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 17' ' ' ILE . 1.2 p 59.47 139.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 70.140000000000001 108.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 74.519999999999996 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.499 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 64.319999999999993 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 74.340000000000003 109.322 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.409999999999997 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.571 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.329999999999998 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.450000000000003 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.548 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.430000000000007 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.400000000000006 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.120000000000005 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.140000000000001 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.149999999999999 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.310000000000002 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 74.129999999999995 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 72.219999999999999 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.019999999999996 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 75.519999999999996 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.62 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -72.15 -171.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 63.210000000000001 109.256 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm 41.96 76.22 0.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 74.120000000000005 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 70.209999999999994 110.985 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.976 -0.85 . . . . 64.409999999999997 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.52 155.48 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 75.439999999999998 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mt 57.93 108.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.340000000000003 109.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -137.89 129.73 28.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 61.149999999999999 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -97.55 113.33 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.414 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' CA ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -39.81 132.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.299999999999997 109.285 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.310000000000002 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 73.239999999999995 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.467 ' CA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -43.78 -43.9 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 64.519999999999996 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -84.43 83.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.209999999999994 110.282 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' CG1' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER 40.52 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 109.315 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.525 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 68.7 mtt180 -99.46 134.61 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 75.450000000000003 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.86 -151.77 18.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 72.010000000000005 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.49 65.34 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 72.319999999999993 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -52.36 -175.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.219999999999999 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 17' ' ' ILE . 56.2 m 57.17 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 71.430000000000007 108.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.120000000000005 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.502 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 72.319999999999993 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.420000000000002 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.140000000000001 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 75.129999999999995 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 74.25 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.099999999999994 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 75.030000000000001 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.150000000000006 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.430000000000007 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.209999999999994 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 HG21 ' CB ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.030000000000001 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 17' ' ' ILE . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 65.040000000000006 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.329999999999998 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 75.129999999999995 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 33' ' ' CYS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.400000000000006 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.209999999999994 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 63.530000000000001 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 71.540000000000006 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.14 121.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.310000000000002 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -65.54 159.08 70.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 72.439999999999998 111.043 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 72.230000000000004 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -102.28 -25.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 75.310000000000002 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.88 137.31 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -132.31 99.48 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -101.15 -12.67 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 64.450000000000003 110.396 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -175.78 165.98 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 75.310000000000002 109.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 24.6 mm100 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.430000000000007 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CE2' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 75.120000000000005 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -40.56 149.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.099999999999994 108.304 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.83 53.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.400000000000006 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.698 ' CG1' ' CE2' ' A' ' 10' ' ' TYR . 19.0 m -53.88 -174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 75.200000000000003 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.66 144.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 73.420000000000002 110.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.67 -137.84 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 74.140000000000001 111.0 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' ILE . . . -81.33 119.36 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 72.329999999999998 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -62.26 -134.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.540000000000006 109.298 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 73.9 m -40.37 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 74.430000000000007 108.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 73.420000000000002 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.524 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 74.129999999999995 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 75.140000000000001 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.129999999999995 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.130000000000003 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.420000000000002 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.319999999999993 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.219999999999999 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.019999999999996 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.409999999999997 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 74.540000000000006 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.450000000000003 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.120000000000005 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.120000000000005 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.120000000000005 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 73.219999999999999 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HE3' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.420000000000002 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 11.6 mmtt -57.04 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 3.6 ttmt 164.15 -52.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 75.329999999999998 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 74.150000000000006 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 51.140000000000001 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.6 96.08 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 72.230000000000004 109.324 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.26 98.66 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 70.340000000000003 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 168.2 -179.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 62.100000000000001 109.293 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.62 115.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.540000000000006 110.418 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 78.03 155.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.530000000000001 109.243 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.604 ' OE1' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 74.319999999999993 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.487 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.439999999999998 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 75.340000000000003 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.7 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.25 108.284 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.598 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 91.75 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 110.28 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 168.94 -94.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.099999999999994 109.344 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.531 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 6.3 ttm180 -172.57 141.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.57 -60.39 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 52.340000000000003 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.19 29.77 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 73.239999999999995 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -74.4 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.340000000000003 109.314 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m 60.76 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 53.149999999999999 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD2' ' ND1' ' A' ' 19' ' ' HIS . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 71.430000000000007 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.498 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.420000000000002 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.439999999999998 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.430000000000007 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.019999999999996 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 71.549999999999997 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.540000000000006 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 30' ' ' ILE . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 72.019999999999996 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.487 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.120000000000005 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.340000000000003 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.519999999999996 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 64.349999999999994 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 75.340000000000003 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.230000000000004 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 74.439999999999998 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 74.439999999999998 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.71 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.140000000000001 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 150.25 25.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 75.209999999999994 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.32 86.75 44.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 75.450000000000003 109.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 73.540000000000006 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 74.230000000000004 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -139.58 88.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 73.209999999999994 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.2 -101.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.230000000000004 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -90.22 138.66 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 72.219999999999999 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.1 -58.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 110.364 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 1.3 pp -174.59 133.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 74.040000000000006 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.519999999999996 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.219999999999999 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.140000000000001 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.17 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 72.239999999999995 108.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 33.07 -149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 75.329999999999998 110.25 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 16' ' ' ALA . 2.8 t 59.54 93.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 72.549999999999997 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -57.16 11.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 71.299999999999997 110.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' ALA . . . -91.56 102.57 2.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 74.310000000000002 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . 85.12 96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 75.109999999999999 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' CG1' ' HB2' ' A' ' 33' ' ' CYS . 2.2 pt -38.61 -40.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 73.430000000000007 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' SG ' ' N ' ' A' ' 33' ' ' CYS . 65.5 m -135.7 169.1 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 74.310000000000002 108.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.349999999999994 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.310000000000002 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 71.400000000000006 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.200000000000003 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 73.439999999999998 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.340000000000003 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.120000000000005 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.219999999999999 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.409999999999997 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.420000000000002 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.478 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.040000000000006 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 6' ' ' LEU . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 74.109999999999999 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 75.340000000000003 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.430000000000007 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 73.310000000000002 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 54.350000000000001 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.439999999999998 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.310000000000002 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.100000000000001 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.349999999999994 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 73.439999999999998 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 74.129999999999995 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 74.120000000000005 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.36 173.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.430000000000007 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.26 80.2 9.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.310000000000002 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.449 1.762 . . . . 73.349999999999994 110.986 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.0 -0.84 . . . . 62.439999999999998 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -143.78 110.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 73.530000000000001 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.9 mm -114.19 -75.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 74.310000000000002 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.47 158.15 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 73.209999999999994 109.281 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -123.43 126.13 46.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 62.109999999999999 110.348 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 3.0 tt 62.24 126.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 74.049999999999997 109.27 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 15.7 mm100 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 75.5 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.230000000000004 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t -45.03 136.86 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 64.540000000000006 108.297 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 1.9 ttt-85 176.03 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.230000000000004 110.316 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -147.63 -47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 71.030000000000001 109.293 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.45 103.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 75.209999999999994 110.273 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.39 -151.84 19.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 62.119999999999997 110.95 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' O ' ' NE ' ' A' ' 12' ' ' ARG . . . -71.5 126.17 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 75.310000000000002 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -54.64 151.04 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 73.439999999999998 109.285 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' O ' ' A' ' 17' ' ' ILE . 24.9 p 46.26 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 108.273 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.618 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.509 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 54.329999999999998 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.432 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 73.430000000000007 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.349999999999994 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 74.340000000000003 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 63.420000000000002 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.474 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 74.439999999999998 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.319999999999993 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 63.049999999999997 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 72.25 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.414 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 73.549999999999997 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' LYS . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.450000000000003 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 75.319999999999993 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.540000000000006 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.229999999999997 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.049999999999997 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.409999999999997 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 65.319999999999993 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 75.140000000000001 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.420000000000002 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.9 130.83 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.420000000000002 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 65.6 2.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 73.400000000000006 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 73.140000000000001 111.016 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 64.329999999999998 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 tt -72.31 112.27 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 74.420000000000002 109.314 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 tp -155.32 134.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.239999999999995 109.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 59.88 38.53 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 90.2 m -150.28 40.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 75.340000000000003 110.392 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 163.59 122.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 109.256 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.230000000000004 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.510000000000005 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 72.019999999999996 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -42.08 135.02 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 65.239999999999995 108.346 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 5.8 tpt180 83.41 57.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 75.519999999999996 110.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.696 ' CG2' ' CE2' ' A' ' 10' ' ' TYR . 38.7 t -59.58 156.17 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 73.439999999999998 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.41 159.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 74.340000000000003 110.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.75 -142.52 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 73.299999999999997 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.91 109.2 20.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 70.519999999999996 109.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -70.96 146.13 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 109.29 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m 59.46 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 73.230000000000004 108.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.430000000000007 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.491 ' C ' ' CG2' ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.010000000000005 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' CG2' ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.019999999999996 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.518 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.219999999999999 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 71.129999999999995 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 75.049999999999997 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.329999999999998 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.099999999999994 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 74.310000000000002 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.340000000000003 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.549999999999997 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 72.549999999999997 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.523 ' CG2' ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.230000000000004 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.349999999999994 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.439999999999998 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 38' ' ' THR . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.230000000000004 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.400000000000006 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.409999999999997 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' NZ ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.030000000000001 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 65.010000000000005 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.400000000000006 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.11 139.62 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 75.319999999999993 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 86.01 15.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 74.25 110.95 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 64.430000000000007 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.7 pt -159.95 -48.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 74.219999999999999 109.278 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -124.54 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.209999999999994 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.5 m120 61.12 106.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 75.209999999999994 109.304 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -111.55 -8.0 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 65.200000000000003 110.419 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 72.11 162.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 74.510000000000005 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.485 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.420000000000002 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -39.0 -40.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.109999999999999 108.282 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 39.0 ttt180 58.44 155.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.291 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -132.43 -46.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 63.039999999999999 109.284 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.35 93.44 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.140000000000001 110.285 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 16' ' ' ALA . . . 39.37 58.95 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 51.039999999999999 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . 162.62 144.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 71.030000000000001 109.271 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -72.0 119.26 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.247 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 38' ' ' THR . 1.3 m 57.13 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 71.400000000000006 108.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.019999999999996 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.561 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.299999999999997 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.349999999999994 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 75.239999999999995 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 74.530000000000001 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.010000000000005 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.510000000000005 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 73.219999999999999 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 64.019999999999996 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 73.040000000000006 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 109.252 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 72.200000000000003 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.400000000000006 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.539999999999999 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.150000000000006 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 70.430000000000007 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.219999999999999 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 75.129999999999995 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 12' ' ' ARG . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.340000000000003 108.331 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.430000000000007 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -56.39 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.219999999999999 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -161.64 84.67 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.299999999999997 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 73.209999999999994 111.009 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.03 -0.828 . . . . 73.329999999999998 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.61 26.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 74.340000000000003 109.334 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.44 151.31 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 109.29 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -119.85 -50.07 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 75.200000000000003 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m 65.92 120.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.319999999999993 110.393 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 73.76 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 63.32 109.304 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.340000000000003 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 72.219999999999999 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.44 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.540000000000006 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.74 -31.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.319999999999993 108.309 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' TYR . 13.3 mmm180 -109.14 86.79 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 75.140000000000001 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' ARG . 23.9 t -42.65 163.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 74.549999999999997 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 9.3 mtm180 77.59 -179.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 74.549999999999997 110.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.74 56.62 3.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.409999999999997 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 18' ' ' CYS . . . -161.9 37.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 70.319999999999993 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.86 -27.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 63.399999999999999 109.323 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 38' ' ' THR . 0.9 OUTLIER -159.1 166.82 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 108.347 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.200000000000003 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.548 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.109999999999999 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.319999999999993 109.27 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 74.140000000000001 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.130000000000003 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.319999999999993 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.494 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.430000000000007 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 74.319999999999993 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 72.200000000000003 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 75.209999999999994 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.329999999999998 109.264 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 63.210000000000001 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 74.420000000000002 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 73.209999999999994 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.230000000000004 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.239999999999995 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.549999999999997 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 72.439999999999998 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 123.46 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -76.22 -53.11 2.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 73.230000000000004 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 61.329999999999998 111.012 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 71.099999999999994 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.58 136.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.774 . . . . 63.509999999999998 109.246 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.2 146.89 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 74.349999999999994 109.25 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.73 105.62 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 73.040000000000006 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 33.0 p -128.51 -56.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 62.240000000000002 110.439 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp 163.61 158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.049999999999997 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.584 ' HG3' ' CE ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 74.25 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 70.510000000000005 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.230000000000004 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -39.09 153.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 73.230000000000004 108.337 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.8 tpt180 84.0 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 110.257 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.09 -102.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.010000000000005 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -116.3 171.58 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 110.298 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 -174.83 52.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 60.119999999999997 110.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.31 80.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 74.430000000000007 109.239 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' CYS . 6.6 pt -49.32 -52.29 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 74.519999999999996 109.34 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 29.8 p -89.77 155.72 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 53.399999999999999 108.279 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' O ' ' ND1' ' A' ' 19' ' ' HIS . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 74.400000000000006 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.140000000000001 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 73.140000000000001 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 70.049999999999997 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 73.019999999999996 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 71.150000000000006 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.140000000000001 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 72.230000000000004 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.340000000000003 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.209999999999994 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 63.229999999999997 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 72.519999999999996 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 74.219999999999999 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.099999999999994 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.329999999999998 110.944 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.409999999999997 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.466 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.209999999999994 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.664 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 73.540000000000006 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 14.9 mmmt 51.9 -160.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 73.310000000000002 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 85.06 81.91 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 109.319 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 73.329999999999998 111.029 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.277 -0.638 . . . . 71.15 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.43 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 71.11 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 61.34 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.03 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.35 108.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' HB2' HG22 ' A' ' 38' ' ' THR . 62.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.326 -0.99 . . . . 74.52 108.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.4 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 70.42 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.62 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.24 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.34 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.24 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.42 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 54.21 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 55.41 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 62.12 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 72.22 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.42 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 65.5 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.42 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.953 HG22 ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.3 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 38' ' ' THR . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.23 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.23 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 61.4 109.325 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.2 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.33 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 18' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.11 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.953 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 50.52 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.13 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.01 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.43 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.285 -0.635 . . . . 62.2 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.414 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.23 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 72.23 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.5 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.672 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.45 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.778 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.43 108.339 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 38' ' ' THR . 78.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.307 -0.997 . . . . 52.54 108.307 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 63.03 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.619 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.11 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.619 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.22 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 70.43 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.55 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.23 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 72.12 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.31 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.21 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 28' ' ' LYS . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 61.02 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 32' ' ' THR . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.13 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 60.4 110.378 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' THR . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 62.12 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.15 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 71.32 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.45 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.3 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 18' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.13 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HZ3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 72.22 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.621 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.04 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 63.0 109.308 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 7' ' ' GLN . 2.0 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 72.11 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.739 ' N ' HD12 ' A' ' 6' ' ' LEU . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.31 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.03 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.4 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 73.22 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 63.13 108.263 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.825 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 72.12 108.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 74.15 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 71.42 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.41 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.42 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.31 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 51.33 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.03 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.35 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 71.34 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 54.31 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.13 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 32' ' ' THR . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.14 110.988 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.44 110.394 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 38' ' ' THR . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.23 108.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 63.32 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.21 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.44 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.02 110.967 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' SG ' ' A' ' 18' ' ' CYS . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.23 110.367 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.04 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 65.42 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 61.43 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 64.52 109.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.32 -0.622 . . . . 72.43 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 63.01 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.23 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.52 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 72.34 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 52.51 108.306 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.312 -0.995 . . . . 63.0 108.312 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 64.44 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.592 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 63.14 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.1 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.01 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 31.12 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 63.25 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.44 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 70.33 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.1 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.13 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 30' ' ' ILE . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.21 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 29' ' ' GLN . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.13 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.24 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.721 HG22 ' HB3' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 64.51 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 45.32 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 62.34 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.21 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 72.24 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.32 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.41 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.41 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.53 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 65.32 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.759 HD23 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 60.53 109.327 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.23 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.1 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.4 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 72.33 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.759 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.42 108.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.287 -1.005 . . . . 71.14 108.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.51 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.685 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 43.03 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.24 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.42 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.22 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.34 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.14 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 71.21 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 71.24 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.3 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 71.13 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.11 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 71.41 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.533 HG22 ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.34 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.01 108.257 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 73.45 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.763 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.13 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.763 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.43 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.12 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.2 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 55.23 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.11 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.21 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.11 109.304 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.306 -0.627 . . . . 74.44 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.15 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.21 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.22 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 64.32 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 64.41 108.28 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' A' ' 38' ' ' THR . 13.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.259 -1.015 . . . . 64.12 108.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.51 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.673 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 62.23 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.673 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.03 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 72.51 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.4 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.22 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 54.54 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.15 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 63.45 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 73.41 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 64.42 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 32' ' ' THR . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 35.41 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 70.33 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.44 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.668 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.15 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.51 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 72.21 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.41 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 51.03 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.541 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 73.32 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.31 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 64.13 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.23 109.283 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 70.43 109.309 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 55.41 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.53 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 73.13 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.02 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 73.03 108.312 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.986 ' SG ' HG22 ' A' ' 38' ' ' THR . 27.4 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.317 -0.994 . . . . 65.23 108.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.1 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.04 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.24 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.45 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.42 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.44 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.45 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 72.44 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.41 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 30' ' ' ILE . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.25 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 29' ' ' GLN . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.13 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 43.31 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.53 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 54.11 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.32 111.028 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.15 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.01 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.986 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 51.25 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.22 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 72.13 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.658 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.41 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 65.04 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.038 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.296 -0.631 . . . . 51.51 109.296 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 1.038 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.52 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.44 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 64.41 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 62.21 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 6' ' ' LEU . 4.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.13 108.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.899 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.3 -1.0 . . . . 73.1 108.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.912 ' O ' HG23 ' A' ' 38' ' ' THR . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.41 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 52.04 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.04 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.14 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.23 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 54.32 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 74.23 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 63.32 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 61.14 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 61.42 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.44 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' THR . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 53.33 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.21 110.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.12 108.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.24 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.33 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.35 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.02 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.32 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.11 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.33 108.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 71.45 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 54.44 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.7 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 74.11 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 61.23 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.1 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.01 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.768 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 62.33 108.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 61.43 108.322 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.31 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 51.43 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.21 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.04 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 42.43 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.13 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 64.32 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.4 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 72.13 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 30' ' ' ILE . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.32 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 54.45 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 40.25 110.39 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.1 108.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.42 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.23 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.7 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.44 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 20.52 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.54 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.33 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.642 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 72.45 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 11.4 mmtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.44 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.044 HD21 HG22 ' A' ' 30' ' ' ILE . 3.5 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 63.22 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 50.31 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.04 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.41 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 53.24 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 51.3 108.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.663 ' SG ' HG22 ' A' ' 38' ' ' THR . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.328 -0.99 . . . . 65.13 108.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.24 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.594 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 73.12 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.34 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.32 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.31 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 63.11 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.15 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.14 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 72.24 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' O ' HD13 ' A' ' 30' ' ' ILE . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.21 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.044 HG22 HD21 ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 61.21 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.35 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.52 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.35 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.15 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.21 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 62.3 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.2 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.663 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 62.11 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.33 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 70.04 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 65.11 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.43 109.313 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.964 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.283 -0.636 . . . . 63.1 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.964 ' N ' HD12 ' A' ' 6' ' ' LEU . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.41 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.12 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.02 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 73.01 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 65.22 108.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 1.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.269 -1.011 . . . . 62.43 108.269 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.847 ' O ' HG22 ' A' ' 38' ' ' THR . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 52.45 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.516 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 44.25 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 64.45 109.322 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.41 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 53.13 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.33 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.24 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.04 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 61.33 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 43.01 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.43 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.15 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' THR . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.12 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.14 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.15 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.41 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.31 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.699 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 71.34 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 53.43 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.02 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.44 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.15 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.31 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 62.3 109.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.717 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 74.3 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.3 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 54.12 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.54 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 72.43 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 51.22 108.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB2' HG22 ' A' ' 38' ' ' THR . 56.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.31 -0.996 . . . . 64.41 108.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.12 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.67 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 70.03 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.42 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.41 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.4 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 51.41 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.1 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 74.45 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.12 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.15 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.43 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.61 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.43 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 32' ' ' THR . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.21 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.03 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' THR . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 31.33 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.04 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 54.44 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.22 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.4 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 54.22 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.23 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.31 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.626 . . . . 63.33 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.616 ' N ' HD22 ' A' ' 6' ' ' LEU . 86.6 mm-40 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 72.01 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.54 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.43 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.664 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 61.55 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.1 108.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB2' HG22 ' A' ' 38' ' ' THR . 73.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.317 -0.994 . . . . 64.54 108.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 38' ' ' THR . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 64.42 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.657 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 43.24 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.13 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 73.12 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.13 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.13 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.42 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.15 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.22 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 62.32 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.41 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.02 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 25.41 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.9 HG22 ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.41 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 71.53 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.45 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.12 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.12 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.12 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 70.21 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.9 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.42 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.42 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.243 -0.651 . . . . 72.53 109.243 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.873 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 62.23 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.488 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.14 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.33 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.21 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 55.31 108.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.304 -0.999 . . . . 53.15 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 65.34 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 53.23 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 72.14 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.42 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.44 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.43 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.02 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.11 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 70.4 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.54 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.14 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 71.42 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.12 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.723 HG22 ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.34 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.52 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 62.43 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 73.35 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.23 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 60.43 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 63.13 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.723 ' CB ' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.44 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 64.41 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.14 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.53 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.743 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 74.04 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.21 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.22 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.14 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 62.55 108.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.696 ' HB2' HG22 ' A' ' 38' ' ' THR . 65.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.34 -0.985 . . . . 70.31 108.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 38' ' ' THR . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.35 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.31 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 70.51 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.2 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 61.41 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.34 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.12 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.22 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.41 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.42 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.759 ' O ' HD13 ' A' ' 30' ' ' ILE . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.04 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 29' ' ' GLN . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 62.21 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 61.32 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.43 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.1 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 43.21 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.44 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.1 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 18' ' ' CYS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.35 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 61.41 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 65.34 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 52.21 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.43 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG22 ' A' ' 30' ' ' ILE . 3.0 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 73.33 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.548 ' N ' HD23 ' A' ' 6' ' ' LEU . 27.8 mm-40 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 72.14 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.34 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.23 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 63.31 108.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' HG22 ' A' ' 38' ' ' THR . 24.9 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.273 -1.01 . . . . 75.32 108.273 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 38' ' ' THR . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.43 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.667 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 40.24 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 54.22 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.35 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 63.32 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 62.44 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 42.31 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.32 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.32 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.24 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 55.31 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG22 HD21 ' A' ' 6' ' ' LEU . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.04 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 32' ' ' THR . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.45 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 72.52 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.54 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.13 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.05 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.41 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.14 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.902 HG22 ' SG ' ' A' ' 18' ' ' CYS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 54.12 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 64.34 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.42 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 70.25 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.42 109.336 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.256 -0.646 . . . . 74.22 109.256 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.2 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.11 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.688 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.24 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 53.13 108.346 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 64.2 108.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.25 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.01 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.14 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.02 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.22 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 63.54 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 71.25 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.33 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.1 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 72.4 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.34 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.55 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 65.34 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.876 HG22 ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.23 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.35 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.44 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.23 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.4 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.41 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.03 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 62.34 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.4 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 72.31 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.285 -0.635 . . . . 74.51 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.936 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.42 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 54.12 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.23 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.42 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 45.2 108.282 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.99 ' HB2' HG22 ' A' ' 38' ' ' THR . 1.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.346 -0.983 . . . . 65.12 108.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.02 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.3 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.43 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.35 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 70.41 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 63.21 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.01 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.51 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 54.43 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 61.11 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.22 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.553 HD12 ' SG ' ' A' ' 11' ' ' CYS . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.21 109.252 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 65.11 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.4 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.54 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 55.11 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.15 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 41.42 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.31 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.99 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.22 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 64.31 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.34 108.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.43 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.22 109.268 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 63.32 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.34 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 71.34 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.22 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.54 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.32 108.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.762 ' SG ' HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.347 -0.982 . . . . 73.33 108.347 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.2 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.11 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.13 109.27 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 63.21 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.13 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.32 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.43 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 71.31 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 72.11 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.51 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 61.21 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.33 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 42.44 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 54.23 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 62.5 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.33 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 51.33 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 63.31 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.23 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.24 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.55 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 65.25 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.34 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 72.33 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 7' ' ' GLN . 2.7 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.268 -0.642 . . . . 72.05 109.268 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.752 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 73.15 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.4 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 61.34 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 44.11 108.337 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.279 -1.008 . . . . 43.43 108.279 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.1 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 41.04 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.42 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.41 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.14 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 54.31 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 64.4 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.54 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 62.25 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 61.35 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.14 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 64.44 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.34 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.21 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 62.42 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 1.008 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 63.41 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.008 HD13 ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 41.43 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.1 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.33 110.944 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.41 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.41 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.21 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 63.14 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 71.11 109.297 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 43.41 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 mt -112.94 118.79 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 62.05 109.272 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -74.88 178.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.25 109.298 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -169.44 80.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 72.1 109.327 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' LEU . 37.9 p -110.32 55.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 71.3 110.425 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -39.44 131.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 71.15 109.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.43 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 71.11 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 61.34 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.03 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -41.23 114.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.35 108.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 79.61 141.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 73.42 110.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.29 86.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 74.4 109.256 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -153.13 -155.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 62.53 110.264 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.55 -27.46 0.3 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.13 . . . . 73.22 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' ARG . . . -172.51 120.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 73.12 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -32.75 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 53.4 109.317 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' HB2' HG22 ' A' ' 38' ' ' THR . 62.0 m -131.72 163.34 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.52 108.326 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.4 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 70.42 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.62 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.24 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.34 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.24 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.42 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 54.21 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 55.41 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 62.12 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 72.22 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.42 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 65.5 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.42 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.953 HG22 ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.3 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 38' ' ' THR . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.23 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.23 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 61.4 109.325 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.2 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.33 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 18' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.11 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.953 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 50.52 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.13 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.01 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 113.77 9.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -42.03 155.54 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 75.2 109.279 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 63.33 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 75.54 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -53.74 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 71.42 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -52.73 -24.22 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 73.11 109.309 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -98.59 140.6 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 73.54 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' LEU . 18.4 p -125.15 101.55 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.3 110.395 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.52 131.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.2 109.285 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.414 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.23 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 72.23 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.5 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.778 ' CA ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.45 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.778 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -41.48 108.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.43 108.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -146.79 155.32 42.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 72.31 110.336 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.44 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -100.64 45.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.54 110.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.64 -130.74 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 52.43 110.958 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . -99.14 -143.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 51.04 109.269 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.778 HD13 ' CA ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -107.36 -56.18 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 74.41 109.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 38' ' ' THR . 78.1 m -126.18 167.23 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 52.54 108.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 63.03 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.11 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.619 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.22 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 70.43 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.55 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.23 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 72.12 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.31 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.21 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 28' ' ' LYS . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 61.02 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 32' ' ' THR . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.13 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 60.4 110.378 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.579 ' HB3' HD11 ' A' ' 17' ' ' ILE . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 62.12 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.15 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 71.32 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.45 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.3 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 18' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.13 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HZ3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 72.22 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.621 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.04 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -65.4 175.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 63.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -168.0 86.02 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.31 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 74.44 111.046 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 64.42 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.0 115.34 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 74.4 109.313 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -139.82 128.49 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 73.44 109.285 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.62 156.12 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.34 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 23.6 m -137.11 33.97 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 71.42 110.377 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 7' ' ' GLN . 2.0 tp 163.43 131.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 72.11 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.739 ' N ' HD12 ' A' ' 6' ' ' LEU . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.31 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.03 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.4 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 73.22 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.96 136.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 63.13 108.263 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.9 ttt180 83.98 33.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.13 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.868 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.4 t 54.66 170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.1 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' H ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -60.22 164.16 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 65.42 110.274 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.697 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . 52.96 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.117 . . . . 51.23 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 83.83 26.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 71.55 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -60.09 -15.82 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.22 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.825 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.5 p -153.75 166.83 31.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.12 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 74.15 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 71.42 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.41 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.42 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.31 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 51.33 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.03 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.35 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 71.34 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 54.31 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.13 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 32' ' ' THR . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.14 110.988 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.44 110.394 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 38' ' ' THR . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.23 108.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 63.32 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.21 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.44 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.02 110.967 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' SG ' ' A' ' 18' ' ' CYS . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.23 110.367 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.04 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 65.42 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 61.43 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 154.58 25.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 64.52 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 157.65 77.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 75.12 109.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 75.13 110.977 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 51.1 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm 67.99 100.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 71.21 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.83 -91.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 53.14 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 134.53 43.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 75.22 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 17.1 m -129.75 -73.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 71.5 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.71 121.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 72.43 109.32 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 63.01 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.23 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.52 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 72.34 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -42.75 129.48 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 52.51 108.306 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 69.8 141.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.03 110.308 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 14' ' ' ARG . 5.9 t -150.0 162.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 61.12 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER 66.44 101.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 71.4 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . 110.41 -51.25 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 65.3 111.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 171.18 105.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 64.44 109.312 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG1' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -49.75 -33.02 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 63.2 109.259 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -151.83 171.7 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 63.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 64.44 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.592 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 63.14 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.1 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.01 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 31.12 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 63.25 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.44 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 70.33 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.1 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.13 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 30' ' ' ILE . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.21 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 29' ' ' GLN . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.13 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.24 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.721 HG22 ' HB3' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 64.51 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 45.32 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 62.34 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.21 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 72.24 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.32 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.41 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.41 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.53 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 65.32 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -68.88 167.82 14.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.22 76.9 4.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.34 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.33 110.994 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 54.22 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 tp -158.61 138.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 65.32 109.342 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -63.06 147.33 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 72.51 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.52 41.68 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 74.2 109.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -111.83 84.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.34 110.416 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.759 HD23 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -169.38 142.59 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 60.53 109.327 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.23 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.1 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.4 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 72.33 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.759 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.62 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.42 108.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' TYR . 8.0 mtt-85 -89.39 178.61 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.13 110.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -175.36 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 63.52 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.24 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.15 110.355 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -142.2 45.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 73.14 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.55 104.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 74.01 109.309 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -68.61 156.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 71.41 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' ILE . 20.8 m 60.62 152.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 71.14 108.287 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.51 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.685 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 43.03 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.24 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.42 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.22 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.34 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.14 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 71.21 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 71.24 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.3 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 71.13 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.11 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 71.41 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.533 HG22 ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.34 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' SG ' ' CG1' ' A' ' 17' ' ' ILE . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.01 108.257 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 73.45 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.763 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.13 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.763 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.43 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.12 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.2 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 55.23 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.11 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.21 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.32 179.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.11 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 159.48 30.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 54.42 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 75.33 110.989 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.997 -0.841 . . . . 73.33 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 1' ' ' GLY . 17.0 pt -153.94 130.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 42.11 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.3 26.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 53.55 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -133.87 79.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 64.33 109.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' LEU . 2.6 t -155.82 145.05 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.35 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.24 136.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 74.44 109.306 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.15 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.21 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.22 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 64.32 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -47.96 101.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 64.41 108.28 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.876 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.38 -151.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 60.53 110.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG23 ' HG2' ' A' ' 12' ' ' ARG . 13.1 t 72.5 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.31 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER 83.73 25.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 73.45 110.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' ALA . . . 63.03 111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 44.14 111.041 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' GLY . . . 61.6 144.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 72.33 109.311 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -66.7 -146.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 71.23 109.283 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 p -35.01 145.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 64.12 108.259 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.51 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.673 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 62.23 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.673 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.03 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 72.51 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.4 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.22 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 54.54 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.15 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 63.45 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 73.41 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 64.42 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 32' ' ' THR . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 35.41 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 70.33 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.44 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.668 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.15 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.51 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 72.21 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.41 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 51.03 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.541 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 73.32 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.31 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 64.13 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -58.21 125.24 22.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.23 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.66 -51.84 78.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.35 109.259 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 75.21 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 45.12 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 tp -142.92 141.33 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 61.45 109.266 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 4.0 mt -141.59 149.19 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 61.33 109.303 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 30.4 t30 80.11 56.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -120.17 -51.5 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 75.41 110.39 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER 47.72 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 70.43 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 55.41 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.53 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 73.13 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.02 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -40.24 110.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 73.03 108.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.901 ' HB2' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -137.43 135.53 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.24 110.324 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HB ' HD11 ' A' ' 6' ' ' LEU . 8.5 p -112.88 -13.91 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 63.44 109.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 64.4 110.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . -80.85 -172.42 45.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 63.04 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -40.45 127.51 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 73.42 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.901 HG22 ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -44.88 -44.6 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 74.14 109.294 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.986 ' SG ' HG22 ' A' ' 38' ' ' THR . 27.4 p -131.01 159.87 36.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 65.23 108.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.1 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.04 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.24 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.45 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.42 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.44 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.45 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 72.44 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.41 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 30' ' ' ILE . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.25 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 29' ' ' GLN . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.13 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 43.31 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.53 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 54.11 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.32 111.028 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.15 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.01 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.986 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 51.25 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.22 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 72.13 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.658 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.41 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 122.56 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 65.04 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 3.2 mmtm -53.57 -55.93 30.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 74.44 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 72.43 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 62.12 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -132.65 85.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 73.14 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -131.54 105.01 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.33 109.247 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.756 ' HB3' HG13 ' A' ' 13' ' ' VAL . 2.1 m-20 61.4 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 74.45 109.299 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 30.9 p -149.77 -61.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.384 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.038 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 163.4 137.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 51.51 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 1.038 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.52 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.44 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 64.41 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 62.21 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 6' ' ' LEU . 4.0 t -46.0 162.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.13 108.262 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 1.7 mmp_? 64.33 17.4 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 74.43 110.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 4' ' ' ASN . 3.3 t 62.34 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 62.35 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 159.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 74.15 110.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.39 -102.56 2.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.121 . . . . 54.55 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.0 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 73.4 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.34 -139.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 54.3 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.899 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.2 p -42.08 162.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 73.1 108.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.912 ' O ' HG23 ' A' ' 38' ' ' THR . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.41 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 52.04 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.04 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.14 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.23 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 54.32 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 74.23 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 63.32 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 61.14 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 61.42 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.44 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' THR . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 53.33 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.21 110.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' HG13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.12 108.343 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.24 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.33 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.35 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.02 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.32 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.11 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.33 108.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 71.45 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.93 139.08 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 54.44 109.345 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 169.95 -57.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 72.23 109.304 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.532 1.806 . . . . 63.31 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.023 -0.831 . . . . 54.13 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER 45.84 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 72.15 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.41 109.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.44 109.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -132.88 142.57 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 73.34 109.285 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 6' ' ' LEU . 27.0 m -73.19 -103.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 53.13 110.414 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.7 pp -174.38 141.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.11 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 61.23 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.1 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.01 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.768 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.07 107.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 62.33 108.301 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 179.51 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.5 110.292 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.61 HG13 ' H ' ' A' ' 14' ' ' ARG . 2.7 p -165.81 -59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 61.22 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.61 ' H ' HG13 ' A' ' 13' ' ' VAL . 7.0 mtt180 -148.07 -91.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.32 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.53 0.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 44.45 110.944 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.96 -167.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.23 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.592 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -89.9 -37.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 64.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -135.15 170.12 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 61.43 108.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.31 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 51.43 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.21 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.04 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 42.43 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.13 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 64.32 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.4 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 72.13 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 30' ' ' ILE . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.32 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 54.45 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 40.25 110.39 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.1 108.278 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.42 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.23 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.7 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.44 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 20.52 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.54 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.33 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.642 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 72.45 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HE2' HG21 ' A' ' 13' ' ' VAL . 11.4 mmtp -124.75 179.11 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.44 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.57 85.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.22 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 70.34 111.015 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 63.3 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.04 60.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 72.32 109.322 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 mm -81.3 -85.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 71.34 109.267 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.49 106.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 71.32 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' LEU . 27.3 m -91.11 117.57 29.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.33 110.416 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.044 HD21 HG22 ' A' ' 30' ' ' ILE . 3.5 tt -37.65 119.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 63.22 109.326 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 50.31 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.04 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.41 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 53.24 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -43.25 -28.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 51.3 108.3 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 15.9 mmt180 -123.59 73.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.01 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' TYR . 2.8 t -74.37 -45.12 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.05 109.274 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -39.37 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.42 110.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.38 -86.75 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.117 . . . . 62.45 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ILE . . . -137.93 127.83 25.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 75.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -38.5 -40.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.35 109.246 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.663 ' SG ' HG22 ' A' ' 38' ' ' THR . 8.6 p -145.81 161.96 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 65.13 108.328 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.24 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.594 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 73.12 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.34 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.32 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.31 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 63.11 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.15 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.14 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 72.24 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' O ' HD13 ' A' ' 30' ' ' ILE . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.21 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.044 HG22 HD21 ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 61.21 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.35 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.52 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.35 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.15 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.21 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 62.3 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.2 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.663 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 62.11 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.33 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 70.04 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 65.11 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 101.25 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.43 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -165.64 67.07 1.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.23 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 70.13 110.98 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.025 -0.83 . . . . 63.33 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 HG22 ' A' ' 3' ' ' ILE . 4.0 tt -166.53 -49.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 51.42 109.308 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.477 HG22 HG23 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -154.07 57.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 63.13 109.271 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -134.78 130.16 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 71.43 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -137.66 14.65 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 65.53 110.412 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.964 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 80.35 148.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 63.1 109.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.964 ' N ' HD12 ' A' ' 6' ' ' LEU . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.41 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.12 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.02 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HA ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 73.01 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.757 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -41.24 121.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 65.22 108.284 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 52.5 mtt180 -85.81 159.21 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.43 110.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -155.74 -100.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 65.01 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' H ' HG23 ' A' ' 13' ' ' VAL . 31.6 mtt180 -144.41 96.11 2.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 72.14 110.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . 55.28 107.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 42.33 110.981 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 79.21 135.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 52.55 109.25 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -106.8 137.28 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 63.43 109.305 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 17' ' ' ILE . 1.2 p 59.47 139.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 62.43 108.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.847 ' O ' HG22 ' A' ' 38' ' ' THR . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 52.45 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.516 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 44.25 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 64.45 109.322 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.41 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 53.13 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.33 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.24 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.04 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 61.33 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 43.01 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.484 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.43 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.15 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' THR . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.12 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.14 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.15 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.41 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.31 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.699 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 71.34 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 53.43 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.02 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.44 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.15 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.31 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -72.15 -171.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 62.3 109.256 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm 41.96 76.22 0.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 72.1 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 70.21 110.985 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.976 -0.85 . . . . 64.41 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.52 155.48 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 54.22 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mt 57.93 108.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -137.89 129.73 28.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 61.15 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -97.55 113.33 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.33 110.414 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.717 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.81 132.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.3 109.285 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.3 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 54.12 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.54 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.884 ' HA ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 72.43 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -43.78 -43.9 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 51.22 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.979 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -84.43 83.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.21 110.282 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER 40.52 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.25 109.315 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.789 ' N ' HG13 ' A' ' 13' ' ' VAL . 68.7 mtt180 -99.46 134.61 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 71.42 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.86 -151.77 18.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 72.01 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.49 65.34 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 64.42 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -52.36 -175.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.31 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 17' ' ' ILE . 56.2 m 57.17 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 64.41 108.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.12 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.67 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 70.03 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.42 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.41 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.4 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 51.41 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.1 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 74.45 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.12 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.15 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.43 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.61 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.43 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 32' ' ' THR . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.21 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.03 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 17' ' ' ILE . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 31.33 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.04 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 54.44 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.22 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.4 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 54.22 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.23 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.14 121.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.31 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -65.54 159.08 70.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 73.43 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 64.42 111.043 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 60.31 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -102.28 -25.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 62.24 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.88 137.31 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 64.34 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -132.31 99.48 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 73.24 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -101.15 -12.67 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 64.45 110.396 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -175.78 165.98 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.33 109.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.616 ' N ' HD22 ' A' ' 6' ' ' LEU . 86.6 mm-40 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 72.01 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.54 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.43 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CE2' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 61.55 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -40.56 149.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.1 108.304 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.83 53.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.4 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.698 ' CG1' ' CE2' ' A' ' 10' ' ' TYR . 19.0 m -53.88 -174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 75.2 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.66 144.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 73.42 110.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.67 -137.84 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 74.14 111.0 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' ILE . . . -81.33 119.36 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 72.33 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -62.26 -134.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.54 109.298 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB2' HG22 ' A' ' 38' ' ' THR . 73.9 m -40.37 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 64.54 108.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 38' ' ' THR . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 64.42 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.657 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 43.24 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.13 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 73.12 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.13 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.13 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.42 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.15 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.22 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 62.32 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.41 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.02 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 25.41 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.9 HG22 ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.41 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 71.53 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.45 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.12 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.12 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.12 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 70.21 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.9 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.42 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.42 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 11.6 mmtt -57.04 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 3.6 ttmt 164.15 -52.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.35 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 74.15 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 51.14 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.6 96.08 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 53.43 109.324 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.26 98.66 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 70.34 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 168.2 -179.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 54.2 109.293 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.62 115.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.54 110.418 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 78.03 155.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.53 109.243 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.873 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 62.23 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.14 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.33 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.21 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.7 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 55.31 108.284 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.648 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 91.75 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.03 110.28 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.785 HG22 ' N ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 168.94 -94.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.02 109.344 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.785 ' N ' HG22 ' A' ' 13' ' ' VAL . 6.3 ttm180 -172.57 141.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.11 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.57 -60.39 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 32.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.19 29.77 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 73.24 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.4 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.34 109.314 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m 60.76 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 53.15 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 65.34 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 53.23 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 72.14 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.42 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.44 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.43 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.02 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.11 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 70.4 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.54 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.14 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 71.42 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.12 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.723 HG22 ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.34 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.52 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 62.43 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 73.35 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.23 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 60.43 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 63.13 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.723 ' CB ' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.44 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 64.41 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.14 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 150.25 25.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.53 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.32 86.75 44.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 61.33 109.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 71.33 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 74.23 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -139.58 88.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 54.32 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.2 -101.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 65.13 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -90.22 138.66 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 44.22 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -160.1 -58.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.24 110.364 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.3 pp -174.59 133.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 74.04 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.21 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.22 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.14 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -45.17 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 62.55 108.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 33.07 -149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 75.15 110.25 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 16' ' ' ALA . 2.8 t 59.54 93.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 54.32 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -57.16 11.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 62.52 110.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -91.56 102.57 2.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 72.11 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 85.12 96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 63.41 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' CG1' ' HB2' ' A' ' 33' ' ' CYS . 2.2 pt -38.61 -40.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 73.43 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.696 ' HB2' HG22 ' A' ' 38' ' ' THR . 65.5 m -135.7 169.1 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 70.31 108.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 38' ' ' THR . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.35 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.31 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 70.51 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.2 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 61.41 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.34 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.12 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.22 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.41 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.42 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.759 ' O ' HD13 ' A' ' 30' ' ' ILE . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.04 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 29' ' ' GLN . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 62.21 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 61.32 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.43 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.1 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 43.21 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.44 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.1 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 18' ' ' CYS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.35 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 61.41 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 65.34 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 52.21 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.36 173.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.43 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.26 80.2 9.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.31 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.449 1.762 . . . . 62.34 110.986 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.0 -0.84 . . . . 62.44 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -143.78 110.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 52.22 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 4' ' ' ASN . 5.9 mm -114.19 -75.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.14 109.355 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' N ' HG22 ' A' ' 3' ' ' ILE . 2.1 t-20 -122.47 158.15 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 63.21 109.281 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -123.43 126.13 46.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 60.43 110.348 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG22 ' A' ' 30' ' ' ILE . 3.0 tt 62.24 126.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.33 109.27 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.548 ' N ' HD23 ' A' ' 6' ' ' LEU . 27.8 mm-40 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 72.14 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.34 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.23 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t -45.03 136.86 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 63.31 108.297 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 1.9 ttt-85 176.03 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 70.15 110.316 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -147.63 -47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 63.4 109.293 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.45 103.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.45 110.273 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.39 -151.84 19.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 62.12 110.95 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' O ' ' NE ' ' A' ' 12' ' ' ARG . . . -71.5 126.17 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 40.35 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -54.64 151.04 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 73.44 109.285 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' HG22 ' A' ' 38' ' ' THR . 24.9 p 46.26 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.32 108.273 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 38' ' ' THR . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.43 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.667 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 40.24 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 54.22 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.35 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 63.32 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 62.44 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 42.31 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.32 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.32 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.24 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 55.31 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG22 HD21 ' A' ' 6' ' ' LEU . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.04 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 32' ' ' THR . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.45 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 72.52 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.54 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.13 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.05 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.41 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.14 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.902 HG22 ' SG ' ' A' ' 18' ' ' CYS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 54.12 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 64.34 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.42 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 70.25 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.9 130.83 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.42 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 65.6 2.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 73.4 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 73.14 111.016 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 64.33 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.3 tt -72.31 112.27 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 64.24 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 tp -155.32 134.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.24 109.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 59.88 38.53 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.52 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 90.2 m -150.28 40.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 71.13 110.392 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER 163.59 122.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.22 109.256 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.2 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.11 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.24 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -42.08 135.02 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 53.13 108.346 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 17' ' ' ILE . 5.8 tpt180 83.41 57.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 75.52 110.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.696 ' CG2' ' CE2' ' A' ' 10' ' ' TYR . 38.7 t -59.58 156.17 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 73.44 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.41 159.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 74.34 110.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.75 -142.52 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 73.3 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.91 109.2 20.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 34.4 109.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -70.96 146.13 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 73.43 109.29 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m 59.46 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 64.2 108.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.25 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.01 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.14 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.02 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.517 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.22 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 63.54 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 71.25 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.33 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.1 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 72.4 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.34 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.55 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 65.34 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.876 HG22 ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.23 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.35 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.44 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.23 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.4 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.41 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.03 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 62.34 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.4 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.11 139.62 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 72.31 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 86.01 15.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.45 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 71.02 110.95 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 64.43 110.995 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 1' ' ' GLY . 1.7 pt -159.95 -48.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 74.22 109.278 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -124.54 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.21 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.5 m120 61.12 106.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 75.21 109.304 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -111.55 -8.0 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 65.2 110.419 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 72.11 162.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 74.51 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.936 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.42 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 54.12 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.23 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.42 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -39.0 -40.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 45.2 108.282 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 39.0 ttt180 58.44 155.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.12 110.291 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.765 HG11 ' O ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -132.43 -46.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 50.02 109.284 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.35 93.44 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.14 110.285 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.698 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . 39.37 58.95 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 51.04 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 162.62 144.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 63.53 109.271 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -72.0 119.26 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 74.21 109.247 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.99 ' HB2' HG22 ' A' ' 38' ' ' THR . 1.3 m 57.13 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 65.12 108.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.02 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.3 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.43 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.35 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 70.41 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 63.21 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.01 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.51 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 54.43 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 61.11 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.22 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.553 HD12 ' SG ' ' A' ' 11' ' ' CYS . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.21 109.252 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 65.11 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.4 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.54 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 55.11 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.15 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 41.42 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.31 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.99 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.22 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 64.31 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.743 ' SG ' HG13 ' A' ' 13' ' ' VAL . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.34 108.331 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.765 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.43 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -56.39 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.22 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -161.64 84.67 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.34 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 72.42 111.009 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.03 -0.828 . . . . 73.33 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.61 26.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 71.13 109.334 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.44 151.31 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 65.43 109.29 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -119.85 -50.07 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 75.2 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m 65.92 120.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.32 110.393 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 73.76 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 63.32 109.304 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.34 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 71.34 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.22 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.54 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.74 -31.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.32 108.309 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' TYR . 13.3 mmm180 -109.14 86.79 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 71.41 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ARG . 23.9 t -42.65 163.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 63.24 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' N ' HG12 ' A' ' 13' ' ' VAL . 9.3 mtm180 77.59 -179.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 74.55 110.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.74 56.62 3.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.12 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 18' ' ' CYS . . . -161.9 37.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 70.32 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -42.86 -27.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 63.4 109.323 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.762 ' SG ' HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER -159.1 166.82 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.33 108.347 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.2 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.11 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.13 109.27 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 63.21 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.13 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.32 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.43 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 71.31 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 72.11 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.51 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 61.21 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.33 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 42.44 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 54.23 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 62.5 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.33 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 51.33 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 63.31 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.23 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.24 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.55 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 65.25 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.34 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 123.46 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -76.22 -53.11 2.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 73.23 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 61.33 111.012 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 33.32 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -123.58 136.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.774 . . . . 60.24 109.246 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -130.2 146.89 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 52.42 109.25 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.73 105.62 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.05 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 33.0 p -128.51 -56.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 62.04 110.439 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 7' ' ' GLN . 2.7 tp 163.61 158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.05 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.752 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 73.15 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.4 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 61.34 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -39.09 153.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 44.11 108.337 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' NH1' HD12 ' A' ' 30' ' ' ILE . 1.8 tpt180 84.0 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.12 110.257 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.09 -102.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.01 109.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 13' ' ' VAL . 7.7 mtp180 -116.3 171.58 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 75.41 110.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 -174.83 52.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 60.12 110.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.31 80.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 74.43 109.239 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 33' ' ' CYS . 6.6 pt -49.32 -52.29 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 74.52 109.34 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 29.8 p -89.77 155.72 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 43.43 108.279 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.1 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 41.04 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.42 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.41 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.14 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 54.31 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 64.4 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.54 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 62.25 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 61.35 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.14 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.539 HD12 ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 64.44 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.34 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.21 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 62.42 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 1.008 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 63.41 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.008 HD13 ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 41.43 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.1 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.33 110.944 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.41 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.41 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.21 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 63.14 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 14.9 mmmt 51.9 -160.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 71.11 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 85.06 81.91 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.52 109.319 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 73.12 111.029 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.277 -0.638 . . . . 71.15 109.277 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.43 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 71.11 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 61.34 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.03 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.35 108.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' HB2' HG22 ' A' ' 38' ' ' THR . 62.0 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 108.326 -0.99 . . . . 74.52 108.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.4 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 70.42 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.62 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.24 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.34 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.24 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.42 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 54.21 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 55.41 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 62.12 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 72.22 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.42 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 65.5 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.42 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.953 HG22 ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.3 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 38' ' ' THR . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.23 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.23 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 61.4 109.325 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.2 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.33 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 18' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.11 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.953 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 50.52 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.13 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.01 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.43 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.285 -0.635 . . . . 62.2 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.414 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.23 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 72.23 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.5 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.672 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.45 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.778 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.43 108.339 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 38' ' ' THR . 78.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.307 -0.997 . . . . 52.54 108.307 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 63.03 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.619 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.11 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.619 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.22 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 70.43 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.55 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.23 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 72.12 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.31 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.21 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 28' ' ' LYS . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 61.02 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 32' ' ' THR . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.13 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 60.4 110.378 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' THR . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 62.12 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.15 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 71.32 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.45 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.3 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 18' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.13 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HZ3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 72.22 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.621 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.04 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 63.0 109.308 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 7' ' ' GLN . 2.0 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.285 -0.635 . . . . 72.11 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.739 ' N ' HD12 ' A' ' 6' ' ' LEU . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.31 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.03 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.4 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 73.22 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 63.13 108.263 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.825 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.5 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.29 -1.004 . . . . 72.12 108.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 74.15 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 71.42 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.41 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.42 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.31 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 51.33 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.03 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.35 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 71.34 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 54.31 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.13 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 32' ' ' THR . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.14 110.988 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.44 110.394 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 38' ' ' THR . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.23 108.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 63.32 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.21 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.44 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.02 110.967 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' SG ' ' A' ' 18' ' ' CYS . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.23 110.367 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.04 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 65.42 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 61.43 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 64.52 109.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.32 -0.622 . . . . 72.43 109.32 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 63.01 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.23 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.52 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 72.34 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 52.51 108.306 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.312 -0.995 . . . . 63.0 108.312 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 64.44 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.592 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 63.14 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.1 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.01 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 31.12 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 63.25 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.44 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 70.33 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.1 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.13 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 30' ' ' ILE . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.21 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 29' ' ' GLN . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.13 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.24 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.721 HG22 ' HB3' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 64.51 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 45.32 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 62.34 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.21 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 72.24 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.32 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.41 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.41 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.53 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 65.32 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.759 HD23 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 60.53 109.327 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.23 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.1 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.4 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 72.33 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.759 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.42 108.312 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.287 -1.005 . . . . 71.14 108.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.51 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.685 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 43.03 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.24 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.42 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.22 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.34 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.14 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 71.21 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 71.24 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.3 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 71.13 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.11 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 71.41 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.533 HG22 ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.34 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.01 108.257 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 73.45 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.763 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.13 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.763 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.43 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.12 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.2 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 55.23 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.11 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.21 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.11 109.304 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.306 -0.627 . . . . 74.44 109.306 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.15 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.21 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.22 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 64.32 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 64.41 108.28 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' SG ' ' HB ' ' A' ' 38' ' ' THR . 13.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.259 -1.015 . . . . 64.12 108.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.51 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.673 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 62.23 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.673 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.03 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 72.51 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.4 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.22 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 54.54 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.15 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 63.45 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.527 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 73.41 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 64.42 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 32' ' ' THR . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 35.41 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 70.33 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.44 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.668 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.15 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.51 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 72.21 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.41 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 51.03 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.541 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 73.32 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.31 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 64.13 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.23 109.283 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 70.43 109.309 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 55.41 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.53 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 73.13 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.02 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 73.03 108.312 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.986 ' SG ' HG22 ' A' ' 38' ' ' THR . 27.4 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.317 -0.994 . . . . 65.23 108.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.1 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.04 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.24 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.45 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.42 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.44 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.45 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 72.44 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.41 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 30' ' ' ILE . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.25 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 29' ' ' GLN . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.13 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 43.31 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.53 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 54.11 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.32 111.028 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.15 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.01 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.986 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 51.25 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.22 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 72.13 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.658 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.41 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 65.04 109.285 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.038 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.296 -0.631 . . . . 51.51 109.296 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 1.038 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.52 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.44 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 64.41 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 62.21 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 6' ' ' LEU . 4.0 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.13 108.262 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.899 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.2 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.3 -1.0 . . . . 73.1 108.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.912 ' O ' HG23 ' A' ' 38' ' ' THR . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.41 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 52.04 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.04 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.14 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.23 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 54.32 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 74.23 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 63.32 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 61.14 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 61.42 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.44 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' THR . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 53.33 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.21 110.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.12 108.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.24 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.33 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.35 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.02 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.32 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.11 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.33 108.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 71.45 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 54.44 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.768 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.7 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 74.11 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 61.23 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.1 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.01 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.768 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 62.33 108.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 61.43 108.322 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.31 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 51.43 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.21 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.04 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 42.43 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.13 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 64.32 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.4 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 72.13 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 30' ' ' ILE . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.32 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 54.45 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 40.25 110.39 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.1 108.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.42 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.23 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.7 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.44 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 20.52 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.54 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.33 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.642 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 72.45 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB2' ' CE ' ' A' ' 28' ' ' LYS . 11.4 mmtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.44 109.284 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.044 HD21 HG22 ' A' ' 30' ' ' ILE . 3.5 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.326 -0.62 . . . . 63.22 109.326 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 50.31 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.04 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.41 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 53.24 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 51.3 108.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.663 ' SG ' HG22 ' A' ' 38' ' ' THR . 8.6 p . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 108.328 -0.99 . . . . 65.13 108.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.24 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.594 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 73.12 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.34 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.32 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.31 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 63.11 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.15 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.14 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 72.24 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' O ' HD13 ' A' ' 30' ' ' ILE . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.21 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.044 HG22 HD21 ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 61.21 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.35 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.52 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.35 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.15 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.21 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 62.3 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.2 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.663 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 62.11 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.33 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB3' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 70.04 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 65.11 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.43 109.313 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.964 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.283 -0.636 . . . . 63.1 109.283 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.964 ' N ' HD12 ' A' ' 6' ' ' LEU . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.41 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.12 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.02 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 73.01 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 65.22 108.284 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 39' ' ' LYS . 1.2 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.269 -1.011 . . . . 62.43 108.269 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.847 ' O ' HG22 ' A' ' 38' ' ' THR . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 52.45 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.516 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 44.25 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 64.45 109.322 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.41 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 53.13 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.33 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.24 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.04 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 61.33 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 43.01 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.43 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.15 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' THR . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.12 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.14 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.15 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.41 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.31 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.699 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 71.34 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 53.43 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.02 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.44 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.15 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.31 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 62.3 109.256 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.717 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 74.3 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.3 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 54.12 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.54 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 72.43 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 51.22 108.26 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB2' HG22 ' A' ' 38' ' ' THR . 56.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.31 -0.996 . . . . 64.41 108.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.12 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.67 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 70.03 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.42 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.41 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.4 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 51.41 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.1 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 74.45 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.12 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.15 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.43 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.61 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.43 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 32' ' ' THR . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.21 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.03 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' THR . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 31.33 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.04 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 54.44 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.22 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.4 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 54.22 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.23 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.31 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.626 . . . . 63.33 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.616 ' N ' HD22 ' A' ' 6' ' ' LEU . 24.6 mm100 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 72.01 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.54 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.43 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.664 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 61.55 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.1 108.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB2' HG22 ' A' ' 38' ' ' THR . 73.9 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.317 -0.994 . . . . 64.54 108.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 38' ' ' THR . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 64.42 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.657 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 43.24 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.13 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 73.12 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.13 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.13 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.42 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.15 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.22 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 62.32 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.41 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.02 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 25.41 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.9 HG22 ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.41 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 71.53 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.45 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.12 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.12 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.12 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 70.21 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.9 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.42 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.42 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.243 -0.651 . . . . 72.53 109.243 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.873 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 62.23 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.488 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.14 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.33 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.21 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 55.31 108.284 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.304 -0.999 . . . . 53.15 108.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 65.34 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 53.23 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 72.14 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.42 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.44 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.43 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.02 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.11 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 70.4 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.54 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.14 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 71.42 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.12 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.723 HG22 ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.34 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.52 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 62.43 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 73.35 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.23 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 60.43 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 63.13 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.723 ' CB ' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.44 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 64.41 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.14 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.53 109.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.743 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 74.04 109.335 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.21 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.22 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.14 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 62.55 108.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.696 ' HB2' HG22 ' A' ' 38' ' ' THR . 65.5 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.34 -0.985 . . . . 70.31 108.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 38' ' ' THR . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.35 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.31 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 70.51 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.2 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 61.41 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.34 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.12 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.22 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.41 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.42 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.759 ' O ' HD13 ' A' ' 30' ' ' ILE . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.04 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 29' ' ' GLN . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 62.21 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 61.32 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.43 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.1 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 43.21 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.44 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.1 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 18' ' ' CYS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.35 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 61.41 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 65.34 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 52.21 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.43 109.321 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG22 ' A' ' 30' ' ' ILE . 3.0 tt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.27 -0.641 . . . . 73.33 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.548 ' N ' HD23 ' A' ' 6' ' ' LEU . 15.7 mm100 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 72.14 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.34 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.23 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 63.31 108.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' HG22 ' A' ' 38' ' ' THR . 24.9 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.273 -1.01 . . . . 75.32 108.273 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 38' ' ' THR . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.43 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.667 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 40.24 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 54.22 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.35 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 63.32 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 62.44 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 42.31 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.32 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.32 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.24 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 55.31 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HG22 HD21 ' A' ' 6' ' ' LEU . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.04 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 32' ' ' THR . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.45 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 72.52 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.54 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.13 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.05 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.41 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.14 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.902 HG22 ' SG ' ' A' ' 18' ' ' CYS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 54.12 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 64.34 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.42 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 70.25 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.42 109.336 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.256 -0.646 . . . . 74.22 109.256 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.2 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.11 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.688 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.24 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 53.13 108.346 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.301 -1.0 . . . . 64.2 108.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.25 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.01 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.14 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.02 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.517 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.22 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 63.54 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 71.25 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.33 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.1 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 72.4 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.34 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.55 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 65.34 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.876 HG22 ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.23 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.35 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.44 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.23 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.4 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.41 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.03 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 62.34 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.4 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 72.31 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.285 -0.635 . . . . 74.51 109.285 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.936 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.42 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 54.12 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.23 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.42 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 45.2 108.282 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.99 ' HB2' HG22 ' A' ' 38' ' ' THR . 1.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.346 -0.983 . . . . 65.12 108.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.02 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.3 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.43 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.35 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 70.41 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 63.21 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.01 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.51 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 54.43 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 61.11 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.22 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.553 HD12 ' SG ' ' A' ' 11' ' ' CYS . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.21 109.252 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 65.11 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.4 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.54 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 55.11 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.15 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 41.42 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.31 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.99 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.22 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 64.31 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.34 108.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.64 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.43 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.22 109.268 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.304 -0.628 . . . . 63.32 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.34 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 71.34 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.22 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.54 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.32 108.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.762 ' SG ' HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.347 -0.982 . . . . 73.33 108.347 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.2 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.11 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.13 109.27 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 63.21 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.13 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.32 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.43 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 71.31 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 72.11 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.51 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 61.21 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.33 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 42.44 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 54.23 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 62.5 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.33 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 51.33 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 63.31 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.23 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.24 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.55 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 65.25 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.34 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 72.33 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 7' ' ' GLN . 2.7 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.268 -0.642 . . . . 72.05 109.268 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.752 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 73.15 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.4 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 61.34 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 44.11 108.337 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.279 -1.008 . . . . 43.43 108.279 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.1 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.537 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 41.04 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.42 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.41 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.14 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 54.31 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 64.4 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.54 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 62.25 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 61.35 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.14 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 64.44 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.34 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.21 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 62.42 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 1.008 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 63.41 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.008 HD13 ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 41.43 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.1 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.33 110.944 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.41 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.41 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.21 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 63.14 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 71.11 109.297 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.02 -0.832 . . . . 43.41 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 mt -112.94 118.79 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 62.05 109.272 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -74.88 178.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.25 109.298 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -169.44 80.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 72.1 109.327 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' LEU . 37.9 p -110.32 55.07 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 71.3 110.425 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.2 pp -39.44 131.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 71.15 109.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.52 -60.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.43 110.276 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.13 -80.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 71.11 109.368 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.708 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -39.83 -27.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 61.34 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -142.82 12.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 72.03 111.033 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -41.23 114.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.35 108.309 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 79.61 141.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 73.42 110.302 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.29 86.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 74.4 109.256 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' C ' ' N ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -153.13 -155.52 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 62.53 110.264 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.55 -27.46 0.3 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.13 . . . . 73.22 110.99 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' ARG . . . -172.51 120.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 73.12 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -32.75 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 53.4 109.317 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' HB2' HG22 ' A' ' 38' ' ' THR . 62.0 m -131.72 163.34 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 74.52 108.326 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -46.3 137.32 6.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 75.4 109.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 141.76 27.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 70.42 110.952 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.62 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.36 -55.67 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 74.24 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.72 -161.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 74.34 110.969 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -139.66 129.87 14.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 74.24 108.335 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.716 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.02 -152.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 74.42 110.977 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.7 mpp_? -134.64 156.46 48.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 54.21 110.241 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.73 -14.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 55.41 110.301 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -41.54 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 62.12 110.971 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 1.1 mttp 166.98 71.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 72.22 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' CG ' ' HE3' ' A' ' 39' ' ' LYS . 4.4 tm0? -36.61 128.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 74.42 110.298 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.4 mt -129.44 4.07 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 65.5 109.327 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 143.82 117.66 1.21 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 73.42 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.953 HG22 ' HB3' ' A' ' 39' ' ' LYS . 9.0 p -85.78 136.31 33.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 72.3 110.411 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 38' ' ' THR . 1.8 p -101.25 157.49 16.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 74.23 108.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.78 -46.69 0.89 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 55.23 111.002 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.56 120.92 1.39 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 61.4 109.325 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 92.33 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.51 1.795 . . . . 75.2 111.006 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.56 6.74 12.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 42.33 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 18' ' ' CYS . 2.2 m -121.33 114.49 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 74.11 110.422 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.953 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.45 171.32 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 50.52 109.36 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 97.8 m -78.27 96.41 5.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 72.13 108.338 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.644 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -126.37 153.57 44.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 62.01 108.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 113.77 9.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 72.43 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -42.03 155.54 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 75.2 109.279 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 63.33 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 75.54 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.5 mt -68.0 -53.74 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 71.42 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -52.73 -24.22 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 73.11 109.309 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.59 140.6 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 73.54 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 6' ' ' LEU . 18.4 p -125.15 101.55 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 63.3 110.395 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.798 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.52 131.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 62.2 109.285 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.414 ' HB3' ' CE ' ' A' ' 8' ' ' LYS . 5.9 mt-30 -120.74 -58.72 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 62.23 110.301 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 177.44 -81.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 72.23 109.351 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.658 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.08 -26.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 72.5 111.036 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.778 ' CA ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -140.89 13.06 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 73.45 110.991 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.778 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -41.48 108.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 74.43 108.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -146.79 155.32 42.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 72.31 110.336 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -99.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 72.44 109.341 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -100.64 45.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 62.54 110.314 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.64 -130.74 1.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 52.43 110.958 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . -99.14 -143.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 51.04 109.269 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.778 HD13 ' CA ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -107.36 -56.18 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 74.41 109.269 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' HB2' HG22 ' A' ' 38' ' ' THR . 78.1 m -126.18 167.23 15.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 52.54 108.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.4 t-80 -53.45 137.53 50.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 63.03 109.648 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.02 141.79 26.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 72.11 111.014 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.619 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 79.2 -54.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 63.22 109.263 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -165.29 -161.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 70.43 110.973 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.57 128.9 12.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 63.55 108.336 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.694 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.08 -153.49 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.499 1.789 . . . . 74.23 111.011 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.9 mtt85 -134.09 153.7 51.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 72.12 110.318 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 2.3 mmp_? 74.21 -12.85 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 72.31 110.288 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -36.72 -92.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 73.44 111.006 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 173.77 72.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 75.25 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -38.72 103.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.21 110.335 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.427 HD12 ' O ' ' A' ' 28' ' ' LYS . 6.5 mt -120.76 -5.08 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 61.02 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 32' ' ' THR . . . -177.08 178.38 48.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 73.13 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -155.5 126.04 6.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 60.4 110.378 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.579 ' HB3' HD11 ' A' ' 17' ' ' ILE . 15.5 p -131.07 175.94 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 62.12 108.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . 37.35 -136.44 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 74.15 110.99 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -80.17 -175.94 0.67 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.764 . . . . 71.32 109.301 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.2 Cg_endo -75.07 2.14 6.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.525 1.803 . . . . 75.45 110.998 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.64 -3.68 57.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 55.3 111.007 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 18' ' ' CYS . 1.7 m -136.26 93.07 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 74.13 110.457 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.621 ' HZ3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -116.56 167.96 10.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 72.22 109.326 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.621 ' N ' ' HZ3' ' A' ' 39' ' ' LYS . 5.0 t -83.33 84.03 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 74.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.611 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.94 161.78 14.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.04 108.275 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -65.4 175.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 63.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -168.0 86.02 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.31 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 74.44 111.046 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 64.42 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -97.0 115.34 36.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.761 . . . . 74.4 109.313 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -139.82 128.49 27.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 73.44 109.285 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.62 156.12 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.34 109.326 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 23.6 m -137.11 33.97 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 71.42 110.377 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.739 HD12 ' N ' ' A' ' 7' ' ' GLN . 2.0 tp 163.43 131.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 72.11 109.285 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.739 ' N ' HD12 ' A' ' 6' ' ' LEU . 55.4 mt-30 -153.16 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 74.31 110.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.82 -79.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 74.03 109.28 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.642 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.97 -25.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 74.4 111.004 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -143.02 12.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 73.22 110.976 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.96 136.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 63.13 108.263 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 1.9 ttt180 83.98 33.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.13 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.868 ' O ' HG22 ' A' ' 17' ' ' ILE . 2.4 t 54.66 170.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 71.1 109.274 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' H ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -60.22 164.16 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 65.42 110.274 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.697 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . 52.96 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.117 . . . . 51.23 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 83.83 26.62 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 71.55 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -60.09 -15.82 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.22 109.294 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.825 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.5 p -153.75 166.83 31.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.12 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.598 ' HB3' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -46.46 137.53 6.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 74.15 109.58 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.606 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 141.86 27.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.518 1.799 . . . . 71.42 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.78 -55.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 74.41 109.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.53 -156.66 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 73.42 111.016 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -145.14 129.24 8.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 64.31 108.348 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.718 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.99 -153.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 74.25 111.031 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.12 159.51 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 51.33 110.294 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.57 -10.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.03 110.293 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.718 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.92 -98.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 73.35 111.01 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.4 mttt 177.8 104.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 71.34 109.334 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -59.17 116.52 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 54.31 110.255 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' ILE . 21.4 mm -132.82 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.13 109.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 32' ' ' THR . . . 159.42 178.37 33.36 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 64.14 110.988 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -152.27 126.18 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 70.44 110.394 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.565 ' SG ' HG22 ' A' ' 38' ' ' THR . 16.1 p -114.59 54.3 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 74.23 108.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.2 154.12 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 63.32 110.968 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.0 mp 62.38 136.02 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 75.21 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 2.2 6.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.443 1.759 . . . . 74.44 111.007 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -107.36 -1.06 35.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 75.02 110.967 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.825 HG22 ' SG ' ' A' ' 18' ' ' CYS . 1.4 m -137.64 84.53 2.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 54.23 110.367 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.14 173.06 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 72.04 109.294 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.67 84.09 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 65.42 108.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.628 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.92 140.08 40.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 61.43 108.314 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 154.58 25.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 64.52 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.62 157.65 77.87 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 75.12 109.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.524 1.802 . . . . 75.13 110.977 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 51.1 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 mm 67.99 100.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 71.21 109.315 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -121.83 -91.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 53.14 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 134.53 43.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 75.22 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 6' ' ' LEU . 17.1 m -129.75 -73.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 71.5 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -39.71 121.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 72.43 109.32 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.47 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -115.93 -66.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 63.01 110.302 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 171.71 -78.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 72.23 109.271 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.724 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.31 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.52 110.961 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.724 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.96 13.45 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 72.34 111.009 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -42.75 129.48 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 52.51 108.306 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 69.8 141.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 71.03 110.308 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 14' ' ' ARG . 5.9 t -150.0 162.56 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 61.12 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER 66.44 101.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 71.4 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . 110.41 -51.25 0.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 65.3 111.022 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 171.18 105.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 64.44 109.312 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CG1' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -49.75 -33.02 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 63.2 109.259 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -151.83 171.7 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 63.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.58 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 7.0 t-80 -38.89 136.78 0.93 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 64.44 109.631 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.592 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 142.0 27.45 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 63.14 111.006 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.46 -60.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 70.1 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -159.36 -154.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 74.01 111.003 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.59 132.53 9.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 31.12 108.279 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.732 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -75.01 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 63.25 110.964 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm-85 -136.26 160.21 39.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 75.44 110.284 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 77.76 -16.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 70.33 110.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.732 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.48 -97.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 71.1 111.016 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 167.85 72.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 73.13 109.288 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' O ' HD13 ' A' ' 30' ' ' ILE . 1.7 tm0? -33.48 121.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 74.21 110.309 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 29' ' ' GLN . 10.4 mm -114.13 -33.24 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.177 . . . . 64.13 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.479 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . -179.78 103.71 0.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.503 1.127 . . . . 75.24 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.721 HG22 ' HB3' ' A' ' 39' ' ' LYS . 19.5 p -68.32 131.04 44.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 64.51 110.339 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -176.67 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 45.32 108.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.23 -117.31 0.88 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 62.34 111.015 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.724 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -91.53 175.29 3.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 74.21 109.298 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.724 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.99 7.11 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.777 . . . . 72.24 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -106.93 -0.96 36.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 64.32 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.5 m -130.76 106.56 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 70.41 110.397 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.01 168.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 70.41 109.329 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 71.5 m -76.56 89.54 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 73.53 108.301 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -114.58 143.73 44.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 65.32 108.265 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -68.88 167.82 14.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 74.5 109.265 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.22 76.9 4.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 72.34 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 73.33 110.994 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 54.22 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 tp -158.61 138.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 65.32 109.342 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.7 pt -63.06 147.33 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 72.51 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -132.52 41.68 3.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 74.2 109.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -111.83 84.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.34 110.416 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.759 HD23 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -169.38 142.59 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 60.53 109.327 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 5.7 mm-40 -135.28 -52.07 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 72.23 110.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 169.58 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 75.1 109.297 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.788 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.41 -24.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.4 110.957 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.97 18.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 72.33 111.034 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.759 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.62 95.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 71.42 108.312 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' TYR . 8.0 mtt-85 -89.39 178.61 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 74.13 110.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -175.36 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 63.52 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.24 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 73.15 110.355 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -142.2 45.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 73.14 111.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.55 104.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 74.01 109.309 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' CG1' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -68.61 156.36 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 71.41 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' ILE . 20.8 m 60.62 152.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 71.14 108.287 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.1 t-80 -49.81 137.07 19.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 75.51 109.635 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.685 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 139.66 24.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 43.03 110.978 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 81.71 -54.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 73.24 109.271 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.656 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.55 -178.85 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 71.42 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.548 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 6.0 t -118.07 133.41 23.42 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 44.22 108.302 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.728 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -75.01 -151.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.53 1.805 . . . . 72.34 110.997 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -133.85 159.0 41.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 73.14 110.297 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 72.38 -9.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 71.21 110.265 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.49 -99.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 71.24 111.046 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.0 OUTLIER 161.32 91.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 71.3 109.271 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.425 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 12.2 tt0 -44.69 127.57 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 71.13 110.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.9 mt -132.67 7.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.11 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.474 ' CA ' ' HA ' ' A' ' 8' ' ' LYS . . . 139.62 107.92 0.75 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 71.41 111.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.533 HG22 ' CB ' ' A' ' 39' ' ' LYS . 56.6 p -77.09 135.39 38.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 72.34 110.394 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' SG ' ' CG1' ' A' ' 17' ' ' ILE . 17.4 p -130.42 157.34 42.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 75.01 108.257 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.45 -105.36 0.48 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 73.45 110.952 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.763 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -104.18 173.48 3.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 75.13 109.275 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.763 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.14 6.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 71.43 110.973 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -103.37 0.39 46.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 73.12 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -140.6 89.43 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 74.2 110.441 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -120.45 173.69 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 55.23 109.32 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 11' ' ' CYS . 68.0 m -74.7 89.77 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.11 108.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -110.06 151.69 26.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 43.21 108.297 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.32 179.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 74.11 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.45 159.48 30.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 54.42 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.497 1.788 . . . . 75.33 110.989 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 110.997 -0.841 . . . . 73.33 110.997 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 1' ' ' GLY . 17.0 pt -153.94 130.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 42.11 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -110.3 26.53 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 53.55 109.296 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -133.87 79.3 1.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 64.33 109.312 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' LEU . 2.6 t -155.82 145.05 20.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.35 110.378 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.763 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.24 136.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 74.44 109.306 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 33.0 tt0 -123.45 -54.37 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.15 110.314 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.2 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 75.21 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.776 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.45 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 75.22 110.972 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.776 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.45 17.08 1.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 64.32 111.0 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.506 ' SG ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -47.96 101.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 64.41 108.28 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.876 ' HG2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.38 -151.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 60.53 110.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.876 HG23 ' HG2' ' A' ' 12' ' ' ARG . 13.1 t 72.5 135.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 75.31 109.291 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER 83.73 25.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 73.45 110.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' ALA . . . 63.03 111.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 44.14 111.041 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 15' ' ' GLY . . . 61.6 144.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.777 . . . . 72.33 109.311 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.532 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -66.7 -146.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 71.23 109.283 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 p -35.01 145.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 64.12 108.259 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.619 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -52.67 136.91 43.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 72.51 109.61 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.673 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 141.1 26.08 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 62.23 111.018 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.673 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.88 -55.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 64.03 109.272 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -177.7 4.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 72.51 110.966 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -119.97 131.16 24.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 72.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.725 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -152.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 73.4 111.013 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 27' ' ' TYR . 17.1 mtm180 -132.05 158.94 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 75.22 110.295 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.6 OUTLIER 70.98 -8.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 54.54 110.356 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.725 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -48.52 -99.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 75.15 111.013 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.628 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 mtpt 161.49 93.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 63.45 109.286 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.527 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -51.4 121.75 6.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 73.41 110.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.11 10.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 64.42 109.253 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 32' ' ' THR . . . 162.6 -165.73 36.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.467 1.104 . . . . 35.41 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -158.09 124.17 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 70.33 110.443 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 38' ' ' THR . 0.1 OUTLIER -133.15 117.65 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.44 108.257 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.668 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 94.48 -122.39 7.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 74.15 110.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.831 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -99.55 -175.26 0.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 73.51 109.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 72.21 111.005 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -99.86 -4.55 55.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.534 1.146 . . . . 74.41 110.996 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -140.39 91.46 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 0.808 . . . . 51.03 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.541 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -119.05 173.52 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 73.32 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -69.27 101.12 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 70.31 108.313 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.646 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -129.66 153.88 47.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 64.13 108.311 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -58.21 125.24 22.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 73.23 109.283 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.66 -51.84 78.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 71.35 109.259 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 75.21 110.961 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 45.12 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 tp -142.92 141.33 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 61.45 109.266 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 4.0 mt -141.59 149.19 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 61.33 109.303 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 3' ' ' ILE . 30.4 t30 80.11 56.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 74.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -120.17 -51.5 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 75.41 110.39 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 11' ' ' CYS . 0.9 OUTLIER 47.72 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 70.43 109.309 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -84.34 -82.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 55.41 110.264 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 179.1 -79.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 74.53 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -42.89 -25.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 73.13 110.971 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.705 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.7 13.92 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 73.02 111.029 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -40.24 110.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 73.03 108.312 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.901 ' HB2' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -137.43 135.53 36.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 72.24 110.324 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HB ' HD11 ' A' ' 6' ' ' LEU . 8.5 p -112.88 -13.91 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 63.44 109.352 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.38 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 64.4 110.324 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . -80.85 -172.42 45.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 63.04 111.022 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . . . -40.45 127.51 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 73.42 109.289 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.901 HG22 ' HB2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -44.88 -44.6 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 74.14 109.294 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.986 ' SG ' HG22 ' A' ' 38' ' ' THR . 27.4 p -131.01 159.87 36.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 65.23 108.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.638 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -46.66 136.79 7.52 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.1 109.597 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.72 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -74.99 138.58 23.24 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 75.22 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.72 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.06 -57.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 72.04 109.276 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -164.13 -175.53 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 74.24 110.992 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.561 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.0 t -120.52 130.49 24.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 72.45 108.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.497 1.788 . . . . 62.42 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.8 mpt_? -131.17 161.75 31.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 75.44 110.258 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 -6.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 73.45 110.332 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.753 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -53.02 -100.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 72.44 110.974 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 163.29 102.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 73.41 109.288 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HD13 ' A' ' 30' ' ' ILE . 2.6 tm0? -58.1 119.02 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 73.25 110.33 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 29' ' ' GLN . 17.1 mm -118.58 -8.42 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 71.13 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.455 ' O ' ' SG ' ' A' ' 40' ' ' CYS . . . 156.31 114.31 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 43.31 111.019 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.453 ' HA ' ' CB ' ' A' ' 39' ' ' LYS . 10.4 p -68.93 132.94 47.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 72.53 110.43 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.9 OUTLIER -106.54 28.79 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 54.11 108.315 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . . . 148.78 -88.09 0.15 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 71.32 111.028 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -116.03 -178.67 0.54 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 70.12 109.295 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -75.0 2.67 6.37 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 74.15 111.036 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -98.8 -6.6 56.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 74.01 111.024 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.986 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -153.82 87.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 51.25 110.386 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' NZ ' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -132.92 176.3 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 63.22 109.336 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 31' ' ' GLY . 68.7 m -73.61 84.57 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 72.13 108.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.658 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.77 132.71 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 74.41 108.256 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 122.56 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 65.04 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 3.2 mmtm -53.57 -55.93 30.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 74.44 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 72.43 111.017 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.992 -0.843 . . . . 62.12 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pp -132.65 85.76 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 73.14 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.6 pt -131.54 105.01 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 64.33 109.247 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.756 ' HB3' HG13 ' A' ' 13' ' ' VAL . 2.1 m-20 61.4 111.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 74.45 109.299 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 30.9 p -149.77 -61.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 73.21 110.384 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.038 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 163.4 137.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 51.51 109.296 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 1.038 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.3 tp60 -171.36 -68.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.128 . . . . 73.52 110.309 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 171.75 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 75.44 109.353 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.728 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.36 -23.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 64.41 111.014 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.728 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -143.54 15.13 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 62.21 110.997 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.498 ' SG ' HD13 ' A' ' 6' ' ' LEU . 4.0 t -46.0 162.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 75.13 108.262 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 1.7 mmp_? 64.33 17.4 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 74.43 110.294 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.756 HG13 ' HB3' ' A' ' 4' ' ' ASN . 3.3 t 62.34 137.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 62.35 109.33 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.62 159.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 74.15 110.303 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.39 -102.56 2.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.121 . . . . 54.55 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.0 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 73.4 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.34 -139.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 54.3 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.899 ' SG ' HG22 ' A' ' 38' ' ' THR . 1.2 p -42.08 162.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 73.1 108.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.912 ' O ' HG23 ' A' ' 38' ' ' THR . 7.5 t-80 -46.51 136.65 7.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 73.41 109.612 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.01 143.77 29.4 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 74.41 110.986 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.62 -56.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 52.04 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -163.06 -164.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 74.04 111.013 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.8 t -133.87 135.0 23.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 54.14 108.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.73 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -74.99 -151.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.53 1.805 . . . . 74.23 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 27' ' ' TYR . 2.8 mtt180 -133.49 162.04 32.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 54.32 110.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.44 -6.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 74.23 110.286 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.73 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -54.83 -101.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 63.32 111.024 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.8 OUTLIER 169.15 112.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 61.14 109.316 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' ILE . 4.4 tm0? -62.38 125.76 25.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 61.42 110.273 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 29' ' ' GLN . 23.1 mm -145.24 17.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 64.44 109.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.574 ' O ' HG23 ' A' ' 32' ' ' THR . . . 154.26 178.61 28.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 53.33 111.038 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.12 113.13 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 72.21 110.383 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' SG ' HG13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -123.81 176.61 6.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 73.12 108.343 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 40.2 -140.66 0.93 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 71.24 111.014 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -68.23 176.59 1.33 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 54.33 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.714 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.2 Cg_endo -74.98 1.67 7.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 72.35 111.001 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.57 -2.85 50.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 42.02 111.016 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 19' ' ' HIS . 27.2 m -124.25 87.52 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 74.32 110.428 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.606 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -116.24 166.94 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 73.11 109.268 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -76.79 96.51 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 73.33 108.297 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.656 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -111.27 140.19 46.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 71.45 108.304 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -79.93 139.08 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 54.44 109.345 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.6 OUTLIER 169.95 -57.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 72.23 109.304 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 43' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.532 1.806 . . . . 63.31 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.023 -0.831 . . . . 54.13 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER 45.84 -169.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 72.15 109.3 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.41 109.19 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.44 109.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -132.88 142.57 48.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 73.34 109.285 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 6' ' ' LEU . 27.0 m -73.19 -103.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 53.13 110.414 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.768 HD13 ' SG ' ' A' ' 11' ' ' CYS . 1.7 pp -174.38 141.51 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.11 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.496 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -129.15 -54.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 61.23 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HE3' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 168.64 -84.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 73.1 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.726 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.74 -22.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 111.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.726 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.15 17.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 73.01 110.996 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.768 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.07 107.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.168 . . . . 62.33 108.301 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.92 179.51 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 74.5 110.292 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.61 HG13 ' H ' ' A' ' 14' ' ' ARG . 2.7 p -165.81 -59.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 61.22 109.273 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.61 ' H ' HG13 ' A' ' 13' ' ' VAL . 7.0 mtt180 -148.07 -91.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 75.32 110.34 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.24 -77.53 0.69 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 44.45 110.944 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.96 -167.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 72.23 109.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.592 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -89.9 -37.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 64.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB3' ' C ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -135.15 170.12 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 61.43 108.322 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.8 t-80 -40.39 137.1 1.34 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 74.31 109.656 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.601 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 141.6 26.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 51.43 110.997 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 78.74 -58.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.21 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.646 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.81 -155.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 64.04 111.004 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -146.15 131.96 9.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 42.43 108.313 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.699 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.95 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 75.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -133.94 161.92 33.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 62.13 110.307 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 71.73 -10.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 64.32 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.699 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.16 -102.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 74.4 110.961 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 176.99 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 72.13 109.298 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 39' ' ' LYS . 24.6 tt0 -62.44 123.75 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.24 110.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 30' ' ' ILE . 12.9 mm -139.33 13.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.32 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 150.13 173.61 20.59 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.514 1.134 . . . . 54.45 110.978 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -147.95 122.84 10.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 40.25 110.39 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -132.19 -178.84 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.1 108.278 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 37.79 -146.46 0.11 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 75.42 111.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -62.32 176.51 0.48 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 71.23 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.7 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.04 7.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 75.44 111.036 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.88 -2.17 49.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 20.52 111.018 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.13 103.17 8.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 74.54 110.416 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.99 168.43 14.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 73.5 109.296 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 47.0 m -81.7 84.52 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 73.33 108.291 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.642 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.83 138.6 42.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 72.45 108.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.586 ' HE2' HG21 ' A' ' 13' ' ' VAL . 11.4 mmtp -124.75 179.11 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 75.44 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.57 85.76 0.27 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 75.22 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 70.34 111.015 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 63.3 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.04 60.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 72.32 109.322 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 mm -81.3 -85.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 71.34 109.267 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 71.49 106.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 71.32 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 6' ' ' LEU . 27.3 m -91.11 117.57 29.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 64.33 110.416 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.044 HD21 HG22 ' A' ' 30' ' ' ILE . 3.5 tt -37.65 119.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 63.22 109.326 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -121.25 -65.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 50.31 110.283 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.17 -80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 74.04 109.309 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.677 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -45.63 -19.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.41 111.019 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.677 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -146.41 15.9 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 53.24 110.961 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -43.25 -28.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 51.3 108.3 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' CG ' ' SG ' ' A' ' 40' ' ' CYS . 15.9 mmt180 -123.59 73.89 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 73.01 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 10' ' ' TYR . 2.8 t -74.37 -45.12 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.05 109.274 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -39.37 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 75.42 110.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.38 -86.75 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.117 . . . . 62.45 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ILE . . . -137.93 127.83 25.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 75.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -38.5 -40.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.35 109.246 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.663 ' SG ' HG22 ' A' ' 38' ' ' THR . 8.6 p -145.81 161.96 38.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 65.13 108.328 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.9 t-80 -46.41 137.42 6.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 63.24 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.594 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.96 141.92 27.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 62.32 111.037 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.68 -55.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 73.12 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -164.73 -157.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 74.34 111.033 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' CD ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -144.41 130.55 9.89 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 73.32 108.319 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.724 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.1 Cg_endo -75.03 -153.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 74.31 111.017 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -133.63 158.76 42.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 63.11 110.294 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 71.08 -9.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.15 110.314 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.724 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.71 -98.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 75.14 111.024 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER 178.08 94.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 72.24 109.311 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' O ' HD13 ' A' ' 30' ' ' ILE . 14.7 tm0? -60.69 101.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 75.21 110.257 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.044 HG22 HD21 ' A' ' 6' ' ' LEU . 8.4 mm -110.32 -21.38 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 61.21 109.299 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' CYS . . . -172.23 -170.15 35.76 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.152 . . . . 74.35 110.968 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -153.24 142.02 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 71.52 110.372 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -129.81 178.62 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.35 108.29 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . . . -52.46 -169.68 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 73.15 111.023 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' CB ' ' OG1' ' A' ' 38' ' ' THR . 51.2 mt 66.28 129.29 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 63.21 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.94 93.43 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 62.3 111.015 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 120.79 10.37 7.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 73.2 111.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.663 HG22 ' SG ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -112.18 100.19 8.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 62.11 110.382 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -117.79 170.77 8.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 75.33 109.258 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' ' CG ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -84.51 85.21 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 70.04 108.292 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -107.57 143.84 35.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 65.11 108.299 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.07 101.25 13.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 74.43 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -165.64 67.07 1.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 61.23 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 70.13 110.98 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.025 -0.83 . . . . 63.33 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 HG22 ' A' ' 3' ' ' ILE . 4.0 tt -166.53 -49.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 51.42 109.308 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.477 HG22 HG23 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -154.07 57.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 63.13 109.271 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -134.78 130.16 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 71.43 109.285 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -137.66 14.65 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 65.53 110.412 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.964 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 80.35 148.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 63.1 109.283 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.964 ' N ' HD12 ' A' ' 6' ' ' LEU . 81.9 mm-40 -153.73 -76.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.41 110.291 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 175.27 -81.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 63.12 109.311 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.76 -23.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 75.02 110.983 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HA ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -139.23 10.7 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 73.01 111.004 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.757 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -41.24 121.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 65.22 108.284 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' O ' HG13 ' A' ' 13' ' ' VAL . 52.5 mtt180 -85.81 159.21 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 63.43 110.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -155.74 -100.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 65.01 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' H ' HG23 ' A' ' 13' ' ' VAL . 31.6 mtt180 -144.41 96.11 2.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 72.14 110.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . 55.28 107.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 42.33 110.981 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 79.21 135.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 52.55 109.25 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -106.8 137.28 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 63.43 109.305 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.504 ' O ' ' O ' ' A' ' 17' ' ' ILE . 1.2 p 59.47 139.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 62.43 108.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.847 ' O ' HG22 ' A' ' 38' ' ' THR . 9.0 t-80 -56.99 136.55 80.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 52.45 109.597 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.516 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.06 145.05 30.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 44.25 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.4 t 76.77 -56.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 64.45 109.322 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -161.26 -174.7 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 73.41 110.974 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.7 t -123.58 133.65 24.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 53.13 108.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.71 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -74.96 -151.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 71.33 110.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 10.0 mtp180 -133.53 159.05 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 72.24 110.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.39 -9.77 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.04 110.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.71 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.35 -100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 61.33 111.034 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.2 mtmt 165.29 96.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 43.01 109.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.484 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 11.4 tm0? -54.07 123.08 11.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 64.43 110.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 28' ' ' LYS . 4.4 mt -136.23 10.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 73.15 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 32' ' ' THR . . . 157.59 -166.67 33.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 75.12 111.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.7 OUTLIER -154.82 124.78 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 73.14 110.386 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -129.75 179.18 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.15 108.27 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 36.38 -143.21 0.14 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 72.41 110.992 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -66.04 176.88 0.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 74.31 109.325 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.699 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.97 1.39 7.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.426 1.75 . . . . 71.34 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . -102.51 -0.96 50.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.16 . . . . 53.43 111.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.847 HG22 ' O ' ' A' ' 19' ' ' HIS . 0.5 OUTLIER -130.18 93.38 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 75.02 110.433 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -112.84 171.94 7.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 75.44 109.289 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -71.01 98.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.15 108.347 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -125.62 138.42 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 72.31 108.297 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -72.15 -171.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 62.3 109.256 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm 41.96 76.22 0.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 72.1 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.523 1.802 . . . . 70.21 110.985 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.976 -0.85 . . . . 64.41 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -146.52 155.48 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 54.22 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mt 57.93 108.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 74.34 109.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -137.89 129.73 28.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 61.15 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -97.55 113.33 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.33 110.414 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.717 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.81 132.59 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 74.3 109.285 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.424 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 2.2 mm-40 -116.17 -57.82 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 62.3 110.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.31 -83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 54.12 109.29 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -43.32 -22.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 75.54 110.992 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.884 ' HA ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -144.17 16.73 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 72.43 110.985 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -43.78 -43.9 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 51.22 108.26 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.979 ' O ' HG22 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -84.43 83.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.21 110.282 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.789 HG13 ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER 40.52 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 64.25 109.315 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.789 ' N ' HG13 ' A' ' 13' ' ' VAL . 68.7 mtt180 -99.46 134.61 42.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 71.42 110.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.86 -151.77 18.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 72.01 111.019 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.49 65.34 1.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 64.42 109.288 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.979 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -52.36 -175.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.31 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' SG ' HG12 ' A' ' 17' ' ' ILE . 56.2 m 57.17 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 64.41 108.31 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.6 t-80 -60.49 137.15 92.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 75.12 109.625 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.67 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.98 140.24 25.27 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 70.03 111.016 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.6 t 80.89 -54.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 74.42 109.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.649 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -166.92 -173.56 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 73.41 110.993 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.562 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 8.6 t -123.67 132.42 24.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.4 108.327 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.704 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.95 -153.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.461 1.769 . . . . 51.41 110.998 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 27' ' ' TYR . 16.3 mtp180 -132.98 153.47 51.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 75.1 110.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 74.08 -12.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 74.45 110.278 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.704 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -37.05 -92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.12 110.996 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.2 OUTLIER 164.55 77.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 72.15 109.312 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' LYS . 1.1 tm0? -36.95 121.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.43 110.328 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.61 HG22 ' SG ' ' A' ' 11' ' ' CYS . 4.1 mt -128.43 -41.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 74.43 109.264 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 32' ' ' THR . . . -147.74 -166.11 12.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 64.21 110.981 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -159.86 127.6 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 74.03 110.364 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' SG ' HD11 ' A' ' 17' ' ' ILE . 17.5 p -140.47 172.34 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 31.33 108.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 43.04 -136.66 4.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 61.43 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -74.59 176.78 2.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.77 . . . . 74.04 109.311 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.99 2.09 7.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 54.44 110.971 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.14 -0.22 51.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 75.22 111.041 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' HIS . 2.1 m -132.89 91.2 2.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 74.4 110.408 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' CE ' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -117.97 173.9 6.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 73.21 109.283 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.497 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -79.1 90.7 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 54.22 108.297 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -111.3 151.35 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 64.23 108.317 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.14 121.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 71.31 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -65.54 159.08 70.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 73.43 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 64.42 111.043 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 60.31 111.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 pt -102.28 -25.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 62.24 109.256 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mt -97.88 137.31 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 64.34 109.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -132.31 99.48 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 73.24 109.28 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -101.15 -12.67 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 64.45 110.396 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -175.78 165.98 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 63.33 109.311 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.616 ' N ' HD22 ' A' ' 6' ' ' LEU . 24.6 mm100 -156.93 -76.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 72.01 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 174.91 -80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 74.54 109.326 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -41.93 -26.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 74.43 110.974 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.698 ' CE2' ' CG1' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -140.21 10.88 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 61.55 111.036 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -40.56 149.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 72.1 108.304 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.83 53.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 62.4 110.274 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.698 ' CG1' ' CE2' ' A' ' 10' ' ' TYR . 19.0 m -53.88 -174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 75.2 109.314 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.66 144.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 73.42 110.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 37.67 -137.84 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 74.14 111.0 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' ILE . . . -81.33 119.36 23.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 72.33 109.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CG1' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -62.26 -134.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.54 109.298 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB2' HG22 ' A' ' 38' ' ' THR . 73.9 m -40.37 161.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 64.54 108.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.777 ' O ' HG23 ' A' ' 38' ' ' THR . 7.0 t-80 -38.03 136.8 0.78 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 64.42 109.638 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.657 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.47 1.774 . . . . 43.24 111.019 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.657 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.39 -61.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 73.13 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -158.03 -161.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 73.12 111.002 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.528 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.4 t -137.74 132.23 17.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 72.13 108.247 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.746 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.07 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.79 . . . . 62.13 110.991 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 27' ' ' TYR . 5.5 mpt_? -134.43 159.54 40.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 74.42 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 75.9 -14.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 64.15 110.328 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.746 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -47.03 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 73.22 111.013 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 2.1 mttt 161.19 73.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 62.32 109.27 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 39' ' ' LYS . 13.7 tm0? -37.38 128.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 72.41 110.296 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 3.3 mt -129.63 6.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 72.02 109.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.469 ' N ' ' NE2' ' A' ' 29' ' ' GLN . . . 148.01 118.58 1.02 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 25.41 111.005 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.9 HG22 ' HB3' ' A' ' 39' ' ' LYS . 20.0 p -82.74 126.84 32.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 72.41 110.359 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 m -105.9 -157.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 71.53 108.327 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -64.88 152.8 50.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.541 1.151 . . . . 74.45 111.013 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 86.96 127.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 70.12 109.252 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.6 Cg_endo -74.98 94.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 73.12 111.002 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 23' ' ' CYS . . . 129.22 -2.94 6.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 72.12 111.019 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 19' ' ' HIS . 67.2 m -104.81 106.24 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 70.21 110.402 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.9 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -131.38 171.86 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 73.42 109.319 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.8 m -73.3 95.89 2.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 74.13 108.283 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.661 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -122.14 147.95 45.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 73.42 108.345 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 11.6 mmtt -57.04 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.25 109.253 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 3.6 ttmt 164.15 -52.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.35 109.29 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 74.15 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 51.14 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -120.6 96.08 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 53.43 109.324 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.26 98.66 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 70.34 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 168.2 -179.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 54.2 109.293 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -178.62 115.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 75.54 110.418 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER 78.03 155.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 72.53 109.243 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.873 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -162.56 -80.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 62.23 110.314 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' CB ' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 179.51 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.14 109.304 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -41.76 -26.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 74.33 110.958 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.729 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -140.24 12.95 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 74.21 110.995 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -41.7 162.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 55.31 108.284 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.648 ' C ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 91.75 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 73.03 110.28 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.785 HG22 ' N ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 168.94 -94.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 75.02 109.344 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.785 ' N ' HG22 ' A' ' 13' ' ' VAL . 6.3 ttm180 -172.57 141.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 73.11 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.57 -60.39 4.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 32.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.19 29.77 1.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 73.24 109.327 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -74.4 144.35 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 75.34 109.314 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 18.7 m 60.76 150.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 53.15 108.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.688 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 5.4 t-80 -40.48 137.49 1.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 65.34 109.595 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.02 137.55 21.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.441 1.759 . . . . 53.23 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 83.16 -53.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 72.14 109.262 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.688 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -168.21 -176.68 3.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 75.42 110.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.9 t -120.62 131.52 24.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 75.44 108.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.02 -151.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.536 1.808 . . . . 72.43 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 27' ' ' TYR . 32.2 mtt180 -133.22 158.09 43.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 73.02 110.302 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 72.39 -10.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.11 110.284 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -46.66 -98.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 70.4 110.985 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER 166.78 87.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 75.54 109.265 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -45.34 121.04 2.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 74.14 110.274 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.839 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.4 mt -124.24 0.58 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 71.42 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.488 ' HA3' ' CB ' ' A' ' 8' ' ' LYS . . . 136.93 117.9 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 75.12 110.974 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.723 HG22 ' CB ' ' A' ' 39' ' ' LYS . 62.9 p -84.22 144.02 29.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 63.34 110.429 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 38' ' ' THR . 2.8 p -106.17 165.69 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.52 108.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -35.66 -50.46 1.05 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 62.43 110.986 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.7 mp -40.11 119.82 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 73.35 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 94.51 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 72.23 111.04 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 8.67 16.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 60.43 111.058 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 m -125.16 111.06 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 63.13 110.406 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.723 ' CB ' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -129.66 171.72 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.44 109.298 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.19 93.68 3.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 64.41 108.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -109.71 146.86 34.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 74.14 108.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.54 150.25 25.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 71.53 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.32 86.75 44.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 61.33 109.297 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 71.33 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 74.23 110.997 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -139.58 88.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 54.32 109.275 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pt -142.2 -101.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 65.13 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -90.22 138.66 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 44.22 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -160.1 -58.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.24 110.364 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.743 ' CD1' HG22 ' A' ' 30' ' ' ILE . 1.3 pp -174.59 133.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 74.04 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' C ' ' CG ' ' A' ' 8' ' ' LYS . 4.9 tt0 -125.72 -54.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 75.21 110.309 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.03 -83.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 72.52 109.291 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -41.5 -23.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 73.22 110.97 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.791 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -144.29 17.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 73.14 111.032 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -45.17 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 62.55 108.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER 33.07 -149.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 75.15 110.25 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 16' ' ' ALA . 2.8 t 59.54 93.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 54.32 109.29 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -57.16 11.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 62.52 110.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.701 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -91.56 102.57 2.94 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 72.11 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . 85.12 96.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 63.41 109.335 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' CG1' ' HB2' ' A' ' 33' ' ' CYS . 2.2 pt -38.61 -40.68 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 73.43 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.696 ' HB2' HG22 ' A' ' 38' ' ' THR . 65.5 m -135.7 169.1 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 70.31 108.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.679 ' O ' HG23 ' A' ' 38' ' ' THR . 6.3 t-80 -39.93 136.91 1.22 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 75.35 109.55 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -75.0 140.95 26.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 74.31 110.999 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.8 t 79.45 -59.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 70.51 109.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.643 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -160.84 -154.83 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 75.2 110.976 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.606 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.38 131.0 8.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 61.41 108.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.733 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.2 Cg_endo -75.03 -152.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.503 1.791 . . . . 74.34 111.0 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.0 mtp85 -134.3 161.47 34.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 75.12 110.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.97 -11.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 70.22 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.733 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -51.05 -101.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 70.41 111.02 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.1 mttt 169.21 95.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 75.42 109.303 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.759 ' O ' HD13 ' A' ' 30' ' ' ILE . 8.1 tm0? -62.65 123.3 18.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 75.04 110.292 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.759 HD13 ' O ' ' A' ' 29' ' ' GLN . 6.8 mm -120.07 -4.99 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 62.21 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.485 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 151.62 129.16 1.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 61.32 110.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.4 p -78.11 147.76 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 74.43 110.425 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -167.33 144.88 4.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 72.1 108.303 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.82 -137.45 13.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 43.21 110.99 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -92.36 -176.4 0.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 74.44 109.27 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -74.97 92.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 73.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -13.0 2.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 63.1 111.005 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 18' ' ' CYS . 3.9 m -102.95 108.26 19.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 73.35 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -125.12 170.57 11.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 61.41 109.301 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 31' ' ' GLY . 7.7 m -79.16 97.76 6.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 65.34 108.307 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.638 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 1.0 OUTLIER -129.0 141.43 51.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 52.21 108.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.36 173.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 74.43 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.26 80.2 9.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 74.31 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.449 1.762 . . . . 62.34 110.986 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.0 -0.84 . . . . 62.44 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 tp -143.78 110.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 52.22 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 4' ' ' ASN . 5.9 mm -114.19 -75.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 54.14 109.355 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.428 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -122.47 158.15 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 63.21 109.281 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -123.43 126.13 46.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 60.43 110.348 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG22 ' A' ' 30' ' ' ILE . 3.0 tt 62.24 126.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 73.33 109.27 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.548 ' N ' HD23 ' A' ' 6' ' ' LEU . 15.7 mm100 -149.74 -76.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 72.14 110.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' CG ' ' C ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 172.72 -79.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.34 109.33 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.807 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -41.58 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 74.23 111.022 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.807 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -147.54 15.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 73.25 111.029 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 6' ' ' LEU . 1.7 t -45.03 136.86 4.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 63.31 108.297 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' NE ' ' O ' ' A' ' 16' ' ' ALA . 1.9 ttt-85 176.03 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 70.15 110.316 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 m -147.63 -47.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 63.4 109.293 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.45 103.21 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.45 110.273 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.39 -151.84 19.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 62.12 110.95 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' O ' ' NE ' ' A' ' 12' ' ' ARG . . . -71.5 126.17 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 40.35 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -54.64 151.04 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 73.44 109.285 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' HG22 ' A' ' 38' ' ' THR . 24.9 p 46.26 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 75.32 108.273 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 38' ' ' THR . 6.9 t-80 -74.5 136.86 74.55 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 72.43 109.596 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.667 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 140.19 25.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 40.24 110.973 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.7 t 80.7 -59.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 54.22 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.618 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -160.88 -163.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 73.35 110.988 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 5.7 t -133.55 133.41 22.56 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 63.32 108.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.752 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.98 -151.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 62.44 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 27' ' ' TYR . 25.2 mtm180 -133.06 161.79 33.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 42.31 110.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -8.4 0.9 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 64.32 110.353 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.752 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -52.74 -101.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 54.32 111.025 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 165.91 111.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 73.24 109.291 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.423 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 6.5 tm0? -63.14 125.41 23.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 55.31 110.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HG22 HD21 ' A' ' 6' ' ' LEU . 11.4 mm -139.62 12.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 71.04 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 32' ' ' THR . . . 151.75 -178.39 29.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 73.45 111.017 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -151.99 134.16 15.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 72.52 110.389 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' THR . 4.6 p -98.11 24.27 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 71.54 108.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' C ' ' A' ' 35' ' ' LEU . . . 75.53 -54.15 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 63.13 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -32.37 137.97 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 73.05 109.278 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 35' ' ' LEU . 18.4 Cg_endo -75.0 96.91 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.47 1.774 . . . . 72.41 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' CYS . . . 107.83 5.1 33.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 73.14 111.025 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.902 HG22 ' SG ' ' A' ' 18' ' ' CYS . 2.9 m -117.05 96.6 5.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 54.12 110.413 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.632 ' CE ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -126.32 171.28 11.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 64.34 109.32 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 89.48 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 72.42 108.295 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.654 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -107.66 137.25 46.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 70.25 108.269 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -44.9 130.83 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 72.42 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.76 65.6 2.94 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 73.4 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.477 1.777 . . . . 73.14 111.016 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.006 -0.838 . . . . 64.33 111.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.3 tt -72.31 112.27 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 64.24 109.314 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 tp -155.32 134.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 74.24 109.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 59.88 38.53 21.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 63.52 109.274 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 90.2 m -150.28 40.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 71.13 110.392 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.5 OUTLIER 163.59 122.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 74.22 109.256 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -153.42 -67.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 74.23 110.257 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER 170.34 -78.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 73.2 109.294 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.688 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p90 -39.19 -28.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 72.11 111.037 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' CE2' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -143.37 12.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 63.24 111.018 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -42.08 135.02 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 53.13 108.346 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 17' ' ' ILE . 5.8 tpt180 83.41 57.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 75.52 110.331 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.696 ' CG2' ' CE2' ' A' ' 10' ' ' TYR . 38.7 t -59.58 156.17 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 73.44 109.284 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.41 159.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 74.34 110.277 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.75 -142.52 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 73.3 111.026 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.91 109.2 20.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 34.4 109.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.663 HG22 ' O ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -70.96 146.13 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 73.43 109.29 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' N ' ' A' ' 39' ' ' LYS . 14.2 m 59.46 156.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 64.2 108.301 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.3 t-80 -45.31 137.16 5.16 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.25 109.587 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.721 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 138.7 23.53 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 73.01 110.997 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.721 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.5 t 82.4 -55.29 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 73.14 109.299 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.648 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.0 OUTLIER -165.9 -173.53 2.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.02 110.973 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.517 ' SG ' ' HG3' ' A' ' 39' ' ' LYS . 5.8 t -123.55 131.13 24.28 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 71.22 108.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.742 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.94 -151.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.47 1.774 . . . . 63.54 111.008 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' H ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -134.69 156.03 49.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 71.25 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 77.91 -17.27 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 74.33 110.309 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.742 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -39.41 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.1 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 158.53 81.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 72.4 109.278 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -35.21 119.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 74.34 110.268 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 28' ' ' LYS . 3.4 mt -116.13 -36.55 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 74.55 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.432 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . -178.67 107.73 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 65.34 111.008 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.876 HG22 ' HB3' ' A' ' 39' ' ' LYS . 22.7 p -75.01 138.84 42.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.762 . . . . 74.23 110.402 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLY . 4.5 p -108.62 159.42 16.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 71.35 108.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -34.79 -46.79 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 74.44 110.974 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -40.2 120.24 1.55 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 74.23 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 74.4 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.62 9.35 17.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 74.25 111.002 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.3 m -126.41 114.2 17.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 75.41 110.408 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.0 OUTLIER -134.7 166.85 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 74.03 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' O ' HG13 ' A' ' 30' ' ' ILE . 82.2 m -72.22 90.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 62.34 108.248 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -110.68 155.61 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 74.4 108.288 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.11 139.62 58.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 72.31 109.306 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 86.01 15.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 74.45 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 71.02 110.95 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' O ' HG23 ' A' ' 2' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 64.43 110.995 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 1' ' ' GLY . 1.7 pt -159.95 -48.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 74.22 109.278 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -124.54 74.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 73.21 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.5 m120 61.12 106.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 75.21 109.304 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.7 t -111.55 -8.0 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 65.2 110.419 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.936 HD12 ' N ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 72.11 162.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 74.51 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.936 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -177.31 -68.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 72.42 110.288 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 173.28 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 54.12 109.302 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.767 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -41.39 -24.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.23 110.965 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.767 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -148.84 14.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 74.42 110.998 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -39.0 -40.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 45.2 108.282 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 39.0 ttt180 58.44 155.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 71.12 110.291 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.765 HG11 ' O ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -132.43 -46.12 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 50.02 109.284 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.35 93.44 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 74.14 110.285 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.698 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . 39.37 58.95 1.96 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 51.04 110.963 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 162.62 144.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 63.53 109.271 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.594 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -72.0 119.26 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 74.21 109.247 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.99 ' HB2' HG22 ' A' ' 38' ' ' THR . 1.3 m 57.13 164.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 65.12 108.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 7.0 t-80 -57.93 137.17 83.64 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 71.02 109.578 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.572 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 143.17 28.74 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.471 1.774 . . . . 73.3 111.024 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.1 t 77.9 -56.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 74.43 109.307 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.15 -158.98 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.35 111.008 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.534 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -143.04 131.55 11.39 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 70.41 108.288 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.711 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.5 Cg_endo -74.93 -153.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 63.21 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 27' ' ' TYR . 3.7 mtm180 -134.36 158.59 43.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 71.01 110.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER 74.55 -13.29 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 65.51 110.325 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.711 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -44.81 -97.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 54.43 111.026 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 168.31 91.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 61.11 109.296 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 1.7 tt0 -55.77 123.09 13.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 63.22 110.323 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.553 HD12 ' SG ' ' A' ' 11' ' ' CYS . 3.1 pt -141.09 15.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.21 109.252 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 32' ' ' THR . . . 155.28 -169.05 33.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 65.11 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 1.5 t -178.58 148.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 74.4 110.392 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' LEU . 1.9 p -110.55 177.33 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 62.54 108.297 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.581 ' O ' HD12 ' A' ' 35' ' ' LEU . . . -54.16 85.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 55.11 111.008 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.3 OUTLIER 161.55 123.42 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 74.15 109.279 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 41.42 111.037 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.94 6.69 11.04 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 75.31 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.99 HG22 ' HB2' ' A' ' 18' ' ' CYS . 5.4 m -133.72 92.16 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 63.22 110.394 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -111.13 165.74 11.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 64.31 109.301 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.743 ' SG ' HG13 ' A' ' 13' ' ' VAL . 9.1 t -80.57 93.3 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 73.34 108.331 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.765 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -117.44 139.06 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 71.43 108.246 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -56.39 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.22 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -161.64 84.67 1.71 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 72.34 109.334 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.531 1.806 . . . . 72.42 111.009 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.03 -0.828 . . . . 73.33 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.4 pt -123.61 26.79 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 71.13 109.334 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.44 151.31 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 65.43 109.29 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -119.85 -50.07 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 75.2 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m 65.92 120.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 71.32 110.393 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER 73.76 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 63.32 109.304 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 13.1 mt-30 -166.76 -83.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 75.34 110.262 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 179.46 -81.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 71.34 109.256 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' N ' ' HD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -46.76 -19.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 74.22 111.004 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.73 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -145.07 13.06 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.54 110.997 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.74 -31.56 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 72.32 108.309 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 10' ' ' TYR . 13.3 mmm180 -109.14 86.79 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 71.41 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 14' ' ' ARG . 23.9 t -42.65 163.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 63.24 109.341 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' N ' HG12 ' A' ' 13' ' ' VAL . 9.3 mtm180 77.59 -179.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 74.55 110.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.74 56.62 3.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.12 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 18' ' ' CYS . . . -161.9 37.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 70.32 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 17' ' ' ILE . 0.6 OUTLIER -42.86 -27.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 63.4 109.323 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.762 ' SG ' HG22 ' A' ' 38' ' ' THR . 0.9 OUTLIER -159.1 166.82 30.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 73.33 108.347 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.604 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 6.7 t-80 -40.53 137.2 1.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 73.2 109.571 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.611 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.91 141.68 27.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 74.11 111.018 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' C ' ' A' ' 20' ' ' PRO . 2.9 t 78.62 -57.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 70.13 109.27 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.21 -155.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 63.21 110.952 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' N ' ' CG ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -146.35 130.26 8.49 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 63.13 108.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.727 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.3 Cg_endo -74.99 -153.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 71.32 111.034 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 27' ' ' TYR . 20.2 mtt-85 -134.16 160.35 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 65.43 110.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.85 -10.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 71.31 110.342 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.727 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.41 -100.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 72.11 110.997 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 8.8 mttt 178.2 104.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.51 109.304 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -59.59 120.84 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 61.21 110.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.1 mm -135.22 8.48 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 75.33 109.264 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' CA ' ' HB2' ' A' ' 40' ' ' CYS . . . 155.77 175.31 26.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 42.44 110.967 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -151.13 125.58 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 54.23 110.41 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' GLY . 14.3 p -103.84 146.24 28.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 62.5 108.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' CYS . . . -33.21 -44.98 0.27 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 75.33 110.931 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -37.32 123.14 0.89 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 51.33 109.304 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 96.33 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 63.31 111.014 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.74 6.1 23.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.526 1.141 . . . . 72.23 110.969 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.762 HG22 ' SG ' ' A' ' 18' ' ' CYS . 3.1 m -118.2 112.21 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 0.784 . . . . 75.24 110.371 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -129.38 173.91 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.55 109.297 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -84.83 82.86 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 65.25 108.3 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.633 ' CB ' ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -106.8 138.59 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 74.34 108.346 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.05 123.46 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 72.33 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -76.22 -53.11 2.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 73.23 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 61.33 111.012 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 33.32 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -123.58 136.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.774 . . . . 60.24 109.246 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -130.2 146.89 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 52.42 109.25 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.73 105.62 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 71.05 109.297 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' LEU . 33.0 p -128.51 -56.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 62.04 110.439 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 7' ' ' GLN . 2.7 tp 163.61 158.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.05 109.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.752 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER 179.52 -88.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 73.15 110.303 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.584 ' CE ' ' HG3' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -170.97 -85.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 73.4 109.314 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CE1' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -42.15 -26.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 61.34 111.013 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.699 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -139.01 14.42 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 73.23 111.03 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' HB2' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -39.09 153.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 44.11 108.337 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' NH1' HD12 ' A' ' 30' ' ' ILE . 1.8 tpt180 84.0 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 74.12 110.257 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG23 ' H ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.09 -102.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.01 109.291 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 13' ' ' VAL . 7.7 mtp180 -116.3 171.58 7.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 75.41 110.298 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 -174.83 52.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 60.12 110.964 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.31 80.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 74.43 109.239 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.755 HD11 ' HB3' ' A' ' 33' ' ' CYS . 6.6 pt -49.32 -52.29 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 74.52 109.34 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' N ' ' CG1' ' A' ' 17' ' ' ILE . 29.8 p -89.77 155.72 19.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 43.43 108.279 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 24' ' ' PRO . 8.1 t-80 -60.66 136.51 92.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 74.1 109.595 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.537 ' C ' HG23 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.98 144.28 30.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 41.04 110.985 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 20' ' ' PRO . 3.3 t 77.08 -56.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 74.42 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -162.48 -166.25 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 75.41 111.023 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 27' ' ' TYR . 6.9 t -131.89 135.22 26.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 55.14 108.318 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.741 ' O ' ' CE2' ' A' ' 27' ' ' TYR . 18.4 Cg_endo -74.98 -151.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 54.31 110.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 27' ' ' TYR . 7.5 mtp180 -132.89 162.6 31.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 64.4 110.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.61 -3.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 73.54 110.289 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.741 ' CE2' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -56.22 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 62.25 111.015 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER 170.34 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 61.35 109.295 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -68.52 123.73 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 75.14 110.298 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.539 HD12 ' NH1' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -142.88 16.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 64.44 109.279 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 40' ' ' CYS . . . 143.81 -156.49 26.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 71.34 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.611 ' HA ' ' HA ' ' A' ' 39' ' ' LYS . 5.6 t -175.62 142.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 75.21 110.363 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' ILE . 1.3 p -139.91 -163.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 62.42 108.338 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 1.008 ' C ' HD13 ' A' ' 35' ' ' LEU . . . 47.45 -99.8 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 63.41 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.008 HD13 ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -123.31 -178.15 0.62 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 41.43 109.295 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 35' ' ' LEU . 18.3 Cg_endo -74.94 2.54 6.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 74.1 111.018 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' PHE . . . -104.92 -4.15 42.11 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.528 1.142 . . . . 71.33 110.944 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 19' ' ' HIS . 1.6 p -130.46 96.86 4.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.786 . . . . 74.41 110.42 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HE2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -102.13 171.64 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 71.41 109.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' CB ' HG12 ' A' ' 30' ' ' ILE . 85.9 m -77.29 99.62 5.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 73.21 108.312 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.663 ' HB3' ' CD2' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -119.11 155.41 31.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 63.14 108.35 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' LYS . 14.9 mmmt 51.9 -160.23 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 71.11 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 85.06 81.91 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 73.52 109.319 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 73.12 111.029 -179.989 . . . . . . . . 0 0 . 1 stop_ save_