data_1dro_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 1dro _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.82 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.02 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 1.02 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.881 0.848 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.684 HG21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.684 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.827 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.737 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB3' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.766 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.913 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.576 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.724 ' CE1' HG22 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.693 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.693 HG23 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.718 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.913 ' HA ' HG21 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD2' HD23 ' A' ' 91' ' ' LEU . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.766 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.671 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.578 HD13 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HD2' ' CH2' ' A' ' 32' ' ' TRP . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.964 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 1.034 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.662 HD22 HD21 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.843 ' HB2' HD12 ' A' ' 91' ' ' LEU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.034 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.049 HD13 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.49 ' CA ' HG21 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.926 ' O ' HG21 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.545 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.932 ' HB3' HD13 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.926 HG21 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.995 ' CA ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.601 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.65 HG22 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.766 ' NH2' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.025 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 1.025 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.861 HG13 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.553 ' CE ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.489 ' HB2' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.963 ' CB ' HG22 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.964 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.863 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.786 ' CE1' HG22 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.818 ' HB3' HG22 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.861 ' CB ' HG13 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.897 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.0 m120 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.825 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.897 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.56 ' HA ' HG21 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.94 ' HB3' HD21 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.964 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' C ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.448 HD11 ' C ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.623 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG21 ' C ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.95 HD13 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.894 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.963 HG22 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.936 HD21 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.936 ' ND2' HD21 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.754 ' O ' HD21 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.894 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.433 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.623 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.95 ' HB3' HD13 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 108' ' ' SER . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.711 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.647 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 120.706 0.289 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' NH2' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.788 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.788 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 . . . . . 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 86' ' ' VAL . 6.2 m0 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.993 HG22 ' HE3' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.993 ' HE3' HG22 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.922 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.856 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.671 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.77 ' O ' HD11 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.922 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.706 ' CE1' HG22 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.681 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' ASN . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.828 ' HG3' HD11 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.681 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.761 ' HA ' HG21 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD2' HD22 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.569 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.977 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.776 0.798 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.977 HG13 ' HB2' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.915 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.686 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.607 ' HG3' HD23 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.468 ' OD1' HD21 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.488 ' O ' HD21 ' A' ' 96' ' ' LEU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.95 ' C ' HD22 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.95 HD22 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.422 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 35.2 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.509 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.767 ' HB3' HD13 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.948 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 ' HA ' ' A' ' 111' ' ' VAL . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HA ' HD11 ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.791 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 10.9 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.786 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.597 HG21 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.838 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 . . . . . 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.639 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 25.8 m95 . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.597 ' HG2' HG21 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.68 ' O ' HG21 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.78 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.81 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB2' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.912 ' O ' HD11 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.809 ' CE2' HG23 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.946 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.572 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.946 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.929 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.929 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.505 ' HB2' HD12 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.771 ' CD2' HD22 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.56 ' C ' HD11 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.771 HD22 ' CD2' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.635 HD22 HD21 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 96' ' ' LEU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.782 HD21 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.698 ' CE2' HD13 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.905 ' C ' HD22 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.08 HD13 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.58 ' HB2' HG21 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.414 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.531 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.868 ' O ' HG21 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.549 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.914 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.868 HG21 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.08 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.781 ' HA ' HD12 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.476 ' HG2' ' CE ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.828 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 122.928 1.347 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' CE ' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' CD ' ' HG2' ' A' ' 37' ' ' MET . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.946 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 1.5 m80 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 1.114 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 9.5 m0 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.47 0.653 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.477 ' CG2' ' HD3' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.734 ' CE ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.854 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.874 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.874 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.839 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CE2' HG23 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 1.001 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.438 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.686 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 1.001 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 1.0 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 1.0 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.749 ' HA ' HG21 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD21 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.746 HD13 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.971 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.971 HG13 ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.744 HG13 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.603 ' HB2' HG11 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.114 HD21 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.011 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 15.1 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.429 ' HB2' ' HA ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.406 ' O ' HG13 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.77 ' HB3' HD11 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.927 HG21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.011 HD13 ' CD1' ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.746 ' CA ' HD13 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.725 ' N ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 123.246 1.498 . . . . 0.0 112.414 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.734 HG21 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.751 ' NH1' HD23 ' A' ' 99' ' ' LEU . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.028 ' HB3' HD12 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.862 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.591 ' HE1' HG21 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.814 ' HB3' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.757 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 1.006 ' HB1' ' CG2' ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.802 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.814 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.643 ' CE1' HG22 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.712 ' HA ' HG13 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.89 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.626 HG21 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.89 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.957 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.957 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.537 ' HA ' HG21 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 69' ' ' LEU . 2.3 m-80 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.952 ' HB1' ' CD2' ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.93 ' CG1' HG21 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.6 m-70 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.681 HG21 ' C ' ' A' ' 99' ' ' LEU . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.942 ' HG2' ' CG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.006 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.952 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.995 ' HB2' HG13 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.028 HD12 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.482 ' N ' HG21 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' CA ' ' A' ' 107' ' ' MET . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.578 ' HG2' HD23 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.479 ' O ' HG13 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.872 ' HB3' HD11 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD11 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' C ' ' A' ' 41' ' ' ALA . 5.7 mm-40 -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.845 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.474 0.654 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' HE3' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.487 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.192 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.65 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.874 ' CH2' HG22 ' A' ' 86' ' ' VAL . 9.0 m0 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 121.47 0.653 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.718 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 1.052 ' HB3' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' HD11 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.027 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.491 ' H ' ' HB3' ' A' ' 39' ' ' ALA . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG22 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.741 ' CB ' HG13 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.885 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.639 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.885 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.937 ' HA ' HG21 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD12 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD2' HD13 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.696 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 115' ' ' LYS . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' C ' HD11 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.498 HD11 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 83' ' ' LYS . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.874 HG22 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.069 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.912 ' CG ' HD23 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.89 HD13 ' CD2' ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.742 HD22 HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.816 ' HB2' HD11 ' A' ' 91' ' ' LEU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.926 HD12 ' CD2' ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.97 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.192 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.069 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.481 ' HG2' ' CD2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.531 ' O ' HG13 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.963 ' HB3' HD13 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.947 HD11 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HA ' HD11 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 1.052 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 2.2 m . . . . . 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.601 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.867 HG21 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' HB ' ' HB3' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.867 ' HG2' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' HB3' ' HE2' ' A' ' 37' ' ' MET . 18.1 p-80 . . . . . 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.927 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 5.2 m0 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE2' ' HB3' ' A' ' 18' ' ' HIS . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 1.049 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.507 ' HG3' ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 1.055 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.049 HD11 ' HB3' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.724 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.908 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 54' ' ' LYS . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.994 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HB3' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.744 HD12 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.518 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.994 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.894 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.894 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 1.023 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 69' ' ' LEU . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 1.014 ' HB1' HD21 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.981 HD13 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.897 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 86' ' ' VAL . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.665 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.897 HG13 ' HB1' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD11 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.927 ' HB3' HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 1.023 HD22 ' HB3' ' A' ' 69' ' ' LEU . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.481 ' ND2' HD11 ' A' ' 91' ' ' LEU . 2.1 p30 -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 HD23 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.961 ' C ' HD22 ' A' ' 99' ' ' LEU . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.471 ' HA ' ' CB ' ' A' ' 107' ' ' MET . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.665 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.662 ' O ' HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.72 ' HB3' HD13 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.847 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.96 ' HA ' HD11 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.507 ' NE2' ' HG3' ' A' ' 40' ' ' LYS . 17.6 mm100 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 1.055 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.751 0 CA-C-O 121.196 0.522 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.994 HG12 ' HB1' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.649 HG21 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.995 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.798 ' CH2' HG22 ' A' ' 86' ' ' VAL . 30.6 m95 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.532 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.628 ' H ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.825 ' HB2' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.679 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.035 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.75 ' O ' HG22 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.727 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.746 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.746 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.727 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.71 ' OE2' HD21 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' HG21 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HD12 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 69' ' ' LEU . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 122.108 0.956 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 83' ' ' LYS . 42.7 m-70 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.798 HG22 ' CH2' ' A' ' 32' ' ' TRP . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.862 HD12 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.947 ' HB2' HD21 ' A' ' 98' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.68 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.902 HD22 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.803 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.045 ' C ' HD21 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.045 HD21 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.994 ' HB1' HG12 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.847 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 1.0 ' HB3' HD11 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.862 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.854 HD13 HD13 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' HG2' ' A' ' 40' ' ' LYS . 2.6 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.825 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.256 1.414 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.512 HG21 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.512 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.76 HH12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.583 ' HB3' ' CG ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 25.4 p80 . . . . . 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 86' ' ' VAL . 11.4 m0 . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.822 0.82 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.486 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.822 ' CB ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB3' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.093 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.716 ' H ' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.864 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.783 ' HD2' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.753 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.521 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.753 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.864 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.913 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CG ' HD23 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.656 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.351 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 83' ' ' LYS . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.947 HG13 ' HB1' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.85 HD22 HD11 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.685 ' CG ' HD23 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.862 HD13 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HD12 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.869 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.869 HD22 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 21.5 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.688 ' HB3' HD22 ' A' ' 87' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.663 HG21 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.822 HD21 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.862 ' CA ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.593 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 122.971 1.367 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' HE2' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.525 HG23 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 . . . . . 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.759 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 121.089 0.471 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.538 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.651 ' HE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.715 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' HG3' ' CG ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.923 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.703 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.715 HG13 ' HB3' ' A' ' 39' ' ' ALA . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.678 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CE2' HG23 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.954 ' HB3' HG22 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD3' ' CD2' ' A' ' 61' ' ' PHE . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 1.021 ' HD2' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.855 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CD1' HG23 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.652 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.652 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.954 HG22 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 1.021 ' HB3' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.815 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.815 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.619 ' HA ' HG21 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.421 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.703 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.834 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' N ' ' HD3' ' A' ' 88' ' ' ARG . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.244 0.775 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 85' ' ' HIS . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 83' ' ' LYS . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.652 HG22 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 1.152 ' HG2' HD23 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.494 ' HZ3' HD23 ' A' ' 96' ' ' LEU . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD23 ' HG ' ' A' ' 69' ' ' LEU . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 1.075 ' CD1' HD22 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.729 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.152 HD23 ' HG2' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 107' ' ' MET . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.649 ' HG2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.869 ' O ' HG21 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.54 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.696 ' HB3' HD11 ' A' ' 99' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.814 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.938 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.835 ' HA ' HD11 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.577 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.5 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.888 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.811 ' CH2' HG22 ' A' ' 86' ' ' VAL . 8.8 m95 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 120.872 0.368 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HA ' HG22 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.858 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.959 HG21 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.798 ' HB3' HG22 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.879 ' HA ' HG13 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.692 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 1.062 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.674 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.798 HG22 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 1.062 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.959 ' HA ' HG21 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.795 ' CD1' HD11 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.44 ' C ' ' ND2' ' A' ' 71' ' ' ASN . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 70' ' ' GLN . 10.8 m-80 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.811 HG22 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.044 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.927 ' HG2' HD21 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' ND2' HD22 ' A' ' 91' ' ' LEU . 6.1 p30 -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.855 ' O ' HD22 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.888 ' HB2' HD21 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 1.078 ' CD1' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.662 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.078 HD23 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.838 ' HB3' HD13 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.862 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.037 ' CD1' HD13 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.798 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.7 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.226 0.536 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.755 HG23 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.881 ' NE ' HD21 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.755 ' HB3' HG23 ' A' ' 15' ' ' THR . 35.3 m95 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.903 0.858 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.786 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.786 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.664 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.514 ' HE2' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 1.098 ' HB3' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 44' ' ' ILE . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 1.006 ' HB1' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.803 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.803 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.098 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.719 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.934 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.503 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.934 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.92 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.92 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.535 ' HA ' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.673 ' HB3' HD11 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.78 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.477 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.817 ' C ' HD22 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 1.073 ' CG ' HD23 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.804 ' HD2' HD22 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.809 HD22 HD22 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.809 HD22 HD22 ' A' ' 91' ' ' LEU . 12.0 p30 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.716 ' O ' HD12 ' A' ' 91' ' ' LEU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 1.041 ' CD1' HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.797 ' HD2' HG11 ' A' ' 89' ' ' VAL . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.073 HD23 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.992 HD13 HD22 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' HG21 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.532 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.694 ' HB2' HD13 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.949 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.6 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.992 HD22 HD13 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 1.006 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.983 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 1.3 t . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.065 0.936 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.535 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.819 ' NE ' HG23 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.103 ' HG2' HD12 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.737 ' CZ2' HD23 ' A' ' 98' ' ' LEU . 16.0 m0 . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 13' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.973 ' CE ' ' HB2' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.973 ' HB2' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.723 ' HB3' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.729 ' CB ' HG22 ' A' ' 89' ' ' VAL . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.049 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.656 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 1.049 ' CE2' HG23 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 61' ' ' PHE . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.99 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.55 ' N ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.981 ' CE1' HG23 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.981 HG23 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.99 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 64' ' ' GLU . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.599 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.599 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.431 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.766 HD12 ' CE1' ' A' ' 97' ' ' PHE . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.1 m-80 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 1.039 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.837 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 83' ' ' LYS . 20.3 m-70 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.975 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' HD3' HD22 ' A' ' 96' ' ' LEU . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 1.039 HD21 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.603 HD22 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.766 ' CE1' HD12 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 1.103 HD12 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.975 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.518 ' N ' HG21 ' A' ' 86' ' ' VAL . 29.0 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 104' ' ' ASP . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.838 ' O ' HG13 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.834 ' HB3' HD13 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.755 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.677 ' HA ' HD11 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' HB2' ' A' ' 40' ' ' LYS . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 2.1 t . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.308 0.575 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NH1' ' HB2' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HB2' ' CG ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 86' ' ' VAL . 6.2 m0 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE2' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.666 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.93 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.725 ' C ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.818 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.629 ' O ' HD11 ' A' ' 44' ' ' ILE . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.93 HD11 ' HB3' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' HH ' ' HB3' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.798 ' HA ' HG13 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.905 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' SER . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.905 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.543 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.843 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.491 ' HA ' HG21 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.533 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.614 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.818 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' LEU . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.786 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.75 HD13 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 8.1 ttmt . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 15.7 m-70 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.786 HG21 ' HB3' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.737 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.638 ' ND2' HD21 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' O ' HD12 ' A' ' 91' ' ' LEU . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.837 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.699 ' N ' HG21 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.758 ' O ' HG13 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 1.002 ' HB3' HD13 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.954 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 1.019 ' CD1' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.66 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.312 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.73 -51.83 1.58 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.842 0.83 . . . . 0.0 111.058 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.21 -161.0 16.96 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -84.36 151.42 24.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.065 0.936 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 -138.43 3.78 Favored Glycine 0 C--O 1.236 0.264 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.27 -80.97 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.835 0.826 . . . . 0.0 111.025 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -135.82 7.52 Favored Glycine 0 C--N 1.32 -0.353 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.3 92.97 3.78 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.988 -0.713 . . . . 0.0 110.962 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.494 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 176.89 -163.39 32.26 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.678 1.155 . . . . 0.0 111.191 171.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -104.29 147.43 27.5 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 114.424 -0.888 . . . . 0.0 109.429 171.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.82 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.02 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -176.98 0.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.917 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 1.9 tm-20 -19.4 129.1 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 125.293 1.437 . . . . 0.0 113.449 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.429 ' CE2' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -128.09 153.75 46.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.088 0.947 . . . . 0.0 111.906 -171.121 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -165.08 36.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.911 0.862 . . . . 0.0 110.868 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -137.0 153.97 50.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.835 0.826 . . . . 0.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 23' ' ' THR . 3.8 t -139.56 37.65 2.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.713 0.768 . . . . 0.0 111.074 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.38 126.59 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.74 0.781 . . . . 0.0 110.98 173.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.54 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.792 0.806 . . . . 0.0 111.238 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp 58.2 -98.21 0.08 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.38 -59.77 2.62 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.868 -1.145 . . . . 0.0 110.693 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.92 -92.78 0.04 OUTLIER 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.689 173.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.95 104.96 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.188 0.994 . . . . 0.0 111.104 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.2 150.36 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.407 1.099 . . . . 0.0 111.279 -173.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 -41.27 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.663 1.22 . . . . 0.0 112.318 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 1.02 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 -64.61 175.18 1.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.769 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.684 HG21 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.684 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.827 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.737 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.995 ' HB3' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.766 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.913 HG21 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.576 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.724 ' CE1' HG22 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.693 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.693 HG23 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.718 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.913 ' HA ' HG21 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD2' HD23 ' A' ' 91' ' ' LEU . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.766 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.671 ' HG ' HD22 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' HB2' HD12 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.609 HD12 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.578 HD13 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.778 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . -63.09 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.757 ' HA ' ' HG3' ' A' ' 84' ' ' LYS . 3.4 t 59.31 36.67 23.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.902 0.858 . . . . 0.0 110.919 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.29 47.92 0.25 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.155 0.979 . . . . 0.0 110.924 174.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CG ' ' HB2' ' A' ' 83' ' ' LYS . 11.6 m-85 -153.82 -174.61 5.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.85 0.833 . . . . 0.0 110.881 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -112.14 -22.67 10.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.304 0.573 . . . . 0.0 111.534 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -47.27 2.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HB2' ' CG ' ' A' ' 80' ' ' TYR . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.757 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.778 HG13 ' HB1' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.964 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 1.034 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.662 HD22 HD21 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.917 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.034 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.049 HD13 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.49 ' CA ' HG21 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.926 ' O ' HG21 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.545 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.932 ' HB3' HD13 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.926 HG21 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.609 ' HG3' HD12 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.995 ' CA ' ' HB3' ' A' ' 41' ' ' ALA . 1.5 m -35.06 -59.85 0.49 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.21 67.59 0.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.978 0.894 . . . . 0.0 110.901 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.94 138.47 41.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.938 0.875 . . . . 0.0 111.015 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 p -145.11 -56.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.98 0.895 . . . . 0.0 110.892 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.166 0 CA-C-O 121.947 0.88 . . . . 0.0 110.98 176.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.272 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.78 134.49 42.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.865 0.84 . . . . 0.0 110.994 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.33 91.08 0.58 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.15 -33.52 6.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.601 0.715 . . . . 0.0 111.108 174.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.48 -42.99 3.8 Favored Glycine 0 N--CA 1.462 0.426 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 145.95 43.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 -174.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.93 130.84 10.42 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -138.28 176.01 9.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 124.13 1.919 . . . . 0.0 111.463 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -143.55 -123.53 1.76 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.521 2.01 . . . . 0.0 108.41 174.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.601 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -147.57 157.37 43.53 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 171.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.65 HG22 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.766 ' NH2' HD12 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.025 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.462 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -50.03 154.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 2.3 pt-20 -3.36 114.81 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.942 2.097 . . . . 0.0 114.853 173.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.496 ' CH2' ' HE3' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -85.37 120.29 26.67 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 121.636 -0.665 . . . . 0.0 110.525 172.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.64 96.47 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.066 0.936 . . . . 0.0 112.114 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p 48.43 -99.11 0.05 Allowed 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.562 0.745 . . . . 0.0 111.721 172.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.94 152.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.208 -0.932 . . . . 0.0 110.934 -173.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 p -116.58 95.62 5.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.753 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.98 116.63 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.418 1.104 . . . . 0.0 110.23 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.11 127.86 31.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.208 1.004 . . . . 0.0 111.215 -173.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 28' ' ' SER . . . 179.12 125.54 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.018 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' ALA . 1.1 p 94.48 -58.73 0.01 OUTLIER 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.808 1.243 . . . . 0.0 110.871 173.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -125.26 86.95 2.62 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.088 -1.008 . . . . 0.0 110.84 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.04 74.64 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.911 0.862 . . . . 0.0 111.002 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -143.01 158.08 43.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.937 0.875 . . . . 0.0 110.979 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 1.025 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 -64.26 175.28 1.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.861 HG13 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.553 ' CE ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.963 ' CB ' HG22 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.964 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.863 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.786 ' CE1' HG22 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.818 ' HB3' HG22 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.861 ' CB ' HG13 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.897 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.825 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CD1' HG23 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HD3' ' HA ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HB3' HD21 ' A' ' 59' ' ' LEU . 5.0 m120 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.825 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.897 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 64' ' ' GLU . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.56 ' HA ' HG21 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.94 ' HB3' HD21 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.964 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.94 HD21 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.792 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD13 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' C ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.448 HD11 ' C ' ' A' ' 75' ' ' GLU . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 50.3 -139.8 0.86 Allowed 'General case' 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.54 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.089 0.947 . . . . 0.0 111.129 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.78 31.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.47 0.652 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.466 ' C ' HG23 ' A' ' 81' ' ' THR . 5.0 m-85 -67.3 -92.73 0.01 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.773 -0.58 . . . . 0.0 110.655 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.513 HG21 ' H ' ' A' ' 82' ' ' LYS . 0.1 OUTLIER 165.34 -69.2 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.309 -0.869 . . . . 0.0 110.96 -173.217 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' H ' HG21 ' A' ' 81' ' ' THR . 9.5 ptmt -91.15 -31.53 16.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 177.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG21 ' C ' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.95 HD13 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.894 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.963 HG22 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.936 HD21 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.936 ' ND2' HD21 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.754 ' O ' HD21 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.754 HD21 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CE2' HD13 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.894 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.433 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.623 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.883 ' O ' HG13 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.95 ' HB3' HD13 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 108' ' ' SER . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.057 HD13 HD13 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.711 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.647 ' OG ' ' HB3' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -58.23 -170.64 0.01 OUTLIER 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -64.05 1.12 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.614 1.197 . . . . 0.0 110.621 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.25 -175.82 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.921 0.867 . . . . 0.0 110.912 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.9 p -78.98 -28.82 43.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.776 0.798 . . . . 0.0 111.072 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.923 0.868 . . . . 0.0 110.914 173.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.246 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.58 58.58 0.39 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.911 0.862 . . . . 0.0 111.01 -175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.87 146.07 9.29 Favored Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.1 102.8 2.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.845 . . . . 0.0 111.026 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.93 53.01 0.69 Allowed Glycine 0 C--N 1.32 -0.307 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.21 64.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.757 0.789 . . . . 0.0 111.115 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . -121.15 163.98 14.48 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HG2' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -147.22 42.87 1.11 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.639 1.209 . . . . 0.0 111.205 -175.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 179.92 -179.7 48.81 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-O 122.452 1.029 . . . . 0.0 110.818 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 -87.82 142.6 27.68 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.401 -0.9 . . . . 0.0 110.411 -173.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' NH2' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.788 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.788 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 -154.08 33.64 0.43 Allowed 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.879 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -179.55 159.09 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.352 -0.842 . . . . 0.0 111.679 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.853 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 1.4 m0 176.46 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.615 0.722 . . . . 0.0 110.75 172.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.61 -170.91 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.079 0.942 . . . . 0.0 111.078 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -108.05 117.62 34.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.929 0.871 . . . . 0.0 110.994 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -140.25 -52.31 0.5 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.881 0.848 . . . . 0.0 110.956 -176.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.987 HG21 ' HG2' ' A' ' 25' ' ' LYS . 2.5 t -159.07 145.77 16.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.944 0.878 . . . . 0.0 110.956 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.987 ' HG2' HG21 ' A' ' 24' ' ' THR . 5.8 mmmt 60.62 -157.48 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.697 0.76 . . . . 0.0 110.923 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 -53.97 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.782 0.801 . . . . 0.0 110.869 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.18 132.47 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.888 0.851 . . . . 0.0 111.014 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -127.82 -59.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.949 0.88 . . . . 0.0 111.028 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.06 -175.74 4.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.856 0.836 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -51.24 124.65 12.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.796 0.808 . . . . 0.0 111.175 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.2 m -111.19 -17.75 13.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.367 0.603 . . . . 0.0 112.624 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.532 ' CH2' HG22 ' A' ' 86' ' ' VAL . 6.2 m0 -71.55 175.39 5.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.993 HG22 ' HE3' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.993 ' HE3' HG22 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.922 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.856 ' O ' HG12 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.671 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.77 ' O ' HD11 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.922 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.706 ' CE1' HG22 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.681 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.532 ' CE1' HG23 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' ASN . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.828 ' HG3' HD11 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.828 HD11 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.681 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.761 ' HA ' HG21 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.465 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD2' HD22 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.542 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.569 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.977 ' HB2' HG13 ' A' ' 86' ' ' VAL . . . -64.5 99.89 0.33 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.73 32.58 4.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.841 0.829 . . . . 0.0 111.099 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -165.71 82.06 0.32 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.83 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.399 0.619 . . . . 0.0 111.425 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.413 ' C ' ' HG2' ' A' ' 82' ' ' LYS . 0.7 OUTLIER 69.17 129.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.594 . . . . 0.0 110.673 -173.304 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 81' ' ' THR . 15.7 mmmt 81.17 -68.08 0.1 Allowed 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.922 1.289 . . . . 0.0 109.706 -172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.977 HG13 ' HB2' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.915 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.686 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.607 ' HG3' HD23 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.468 ' OD1' HD21 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.879 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.95 ' C ' HD22 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.95 HD22 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.422 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 35.2 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.636 ' HB3' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.636 ' CG ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.509 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.767 ' HB3' HD13 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.948 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.948 HD11 ' HA ' ' A' ' 111' ' ' VAL . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HA ' HD11 ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.791 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 10.9 t -33.56 -46.3 0.19 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -155.09 149.29 25.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.84 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 t -53.83 158.18 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.4 p -112.87 -177.52 3.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.653 1.216 . . . . 0.0 110.507 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.148 0 CA-C-O 122.062 0.934 . . . . 0.0 111.21 -174.164 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.291 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.02 145.89 47.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.918 0.866 . . . . 0.0 110.956 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.37 -138.07 13.65 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -126.06 124.67 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.826 0.822 . . . . 0.0 111.028 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.69 -141.76 7.17 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.19 -148.26 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.992 -0.711 . . . . 0.0 110.827 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 153.46 27.18 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-O 122.044 0.802 . . . . 0.0 111.423 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.79 141.97 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.062 -0.669 . . . . 0.0 110.549 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -61.03 -160.52 0.1 OUTLIER Glycine 0 CA--C 1.517 0.19 0 CA-C-O 123.617 1.676 . . . . 0.0 112.69 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -127.45 160.49 31.32 Favored 'General case' 0 C--O 1.244 0.786 0 O-C-N 121.645 -0.915 . . . . 0.0 110.108 171.467 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.597 HG21 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.838 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -144.42 47.29 1.39 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.552 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 3.4 tm-20 -179.04 154.87 0.71 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.544 1.164 . . . . 0.0 112.898 -171.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.606 ' HE3' HD23 ' A' ' 96' ' ' LEU . 0.9 OUTLIER 165.85 124.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.537 1.135 . . . . 0.0 110.481 171.358 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.46 178.02 4.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.145 0.974 . . . . 0.0 111.438 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -36.33 7.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.837 . . . . 0.0 111.09 174.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.614 ' O ' HG21 ' A' ' 24' ' ' THR . 1.0 OUTLIER -66.94 -34.4 77.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.98 0.895 . . . . 0.0 110.754 173.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.614 HG21 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER 65.03 163.69 0.15 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.112 0.958 . . . . 0.0 111.075 175.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 173.92 152.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.686 0.755 . . . . 0.0 110.948 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.89 33.05 10.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.907 0.861 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.74 112.28 15.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.764 0.792 . . . . 0.0 110.944 -173.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 t -125.03 -81.65 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.858 0.837 . . . . 0.0 110.974 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -178.68 52.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.841 0.829 . . . . 0.0 111.062 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.58 66.57 0.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.553 0.692 . . . . 0.0 111.344 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -36.34 9.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.858 1.313 . . . . 0.0 110.667 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.639 ' CZ2' HD11 ' A' ' 98' ' ' LEU . 25.8 m95 -72.48 108.78 5.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.704 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.597 ' HG2' HG21 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.68 HG21 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.68 ' O ' HG21 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.78 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.81 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.828 ' HB2' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.912 ' O ' HD11 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.912 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.809 ' CE2' HG23 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.607 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.946 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.572 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.607 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.725 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.946 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.929 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.929 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.505 ' HB2' HD12 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.771 ' CD2' HD22 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.56 ' C ' HD11 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . -56.53 136.09 54.37 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -121.16 -49.44 2.18 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 121.652 -0.655 . . . . 0.0 112.186 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -103.18 -14.29 16.43 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.268 -0.895 . . . . 0.0 112.77 -172.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 6.5 m-30 -67.2 162.55 22.28 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.893 -1.13 . . . . 0.0 111.056 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -73.91 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.711 0.767 . . . . 0.0 111.178 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -24.69 67.13 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.6 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.678 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.819 ' CG ' HD21 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.771 HD22 ' CD2' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.635 HD22 HD21 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.782 HD21 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.698 ' CE2' HD13 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.905 ' C ' HD22 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.08 HD13 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.58 ' HB2' HG21 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.414 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.531 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.868 ' O ' HG21 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.549 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.914 ' HA ' HD23 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.868 HG21 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.08 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.781 ' HA ' HD12 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.476 ' HG2' ' CE ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.828 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 1.5 m -19.71 -59.54 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.32 163.31 40.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.835 0.826 . . . . 0.0 111.044 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.0 t -152.17 80.2 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.826 0.822 . . . . 0.0 111.061 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 p -158.48 -50.78 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.995 0.902 . . . . 0.0 110.984 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.96 0.886 . . . . 0.0 111.135 -177.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.261 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -35.69 21.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.914 0.864 . . . . 0.0 111.004 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -125.41 2.71 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -110.75 -154.13 0.53 Allowed 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.175 -0.603 . . . . 0.0 110.625 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.38 72.8 0.68 Allowed Glycine 0 N--CA 1.465 0.615 0 O-C-N 121.19 -0.944 . . . . 0.0 111.139 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.56 106.02 13.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.905 0.86 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.955 ' HA2' ' HB3' ' A' ' 116' ' ' ALA . . . 60.54 70.53 0.98 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.96 156.05 43.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 111.003 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -96.96 -132.26 7.31 Favored Glycine 0 C--O 1.26 1.747 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.99 178.59 9.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.537 1.669 . . . . 0.0 111.822 177.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' CE ' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' CD ' ' HG2' ' A' ' 37' ' ' MET . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.946 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 1.5 m80 -92.11 37.51 0.98 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 28.4 tt0 -177.55 145.38 0.42 Allowed 'General case' 0 C--O 1.245 0.868 0 C-N-CA 123.169 0.588 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.31 56.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.318 1.533 . . . . 0.0 111.096 176.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.24 88.24 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.041 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -117.85 -38.97 3.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.579 0.704 . . . . 0.0 111.198 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 72.3 164.92 0.29 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.057 0.932 . . . . 0.0 111.067 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.36 169.55 0.23 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.959 0.885 . . . . 0.0 110.984 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -108.0 73.19 0.88 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.912 0.863 . . . . 0.0 110.981 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -142.7 32.74 1.43 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.37 1.081 . . . . 0.0 110.861 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.48 104.58 3.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.951 0.882 . . . . 0.0 110.982 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -86.41 122.39 30.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.869 0.842 . . . . 0.0 110.969 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.79 119.98 1.19 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.94 0.876 . . . . 0.0 111.076 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -77.6 -64.72 1.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.772 . . . . 0.0 111.081 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 -146.18 0.13 Allowed 'General case' 0 C--O 1.25 1.127 0 O-C-N 121.92 -0.487 . . . . 0.0 110.583 -174.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 1.114 ' CZ2' HD21 ' A' ' 98' ' ' LEU . 9.5 m0 -60.95 149.51 36.31 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.122 . . . . 0.0 110.52 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.477 ' CG2' ' HD3' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.526 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.734 ' CE ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.854 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.874 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.874 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.839 HD11 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.5 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' CE2' HG23 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 1.001 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.686 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.438 ' HB2' ' HA ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.686 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.001 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 1.0 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 1.0 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.749 ' HA ' HG21 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD21 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 1.036 ' HB1' HD21 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.746 HD13 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.971 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . -57.49 144.75 35.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -124.22 -52.73 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.977 0.894 . . . . 0.0 111.05 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.92 57.46 1.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.573 1.178 . . . . 0.0 110.502 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.604 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 8.1 p90 -90.52 138.06 31.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 123.186 1.469 . . . . 0.0 112.3 -172.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 81' ' ' THR . 0.5 OUTLIER -115.87 90.84 3.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.878 1.799 . . . . 0.0 108.061 171.114 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt 55.58 26.18 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 80' ' ' TYR . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.971 HG13 ' HB1' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.744 HG13 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 1.036 HD21 ' HB1' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.727 HD23 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.603 ' HB2' HG11 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.114 HD21 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.011 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 15.1 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.429 ' HB2' ' HA ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.406 ' O ' HG13 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.77 ' HB3' HD11 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.927 HG21 ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.463 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.011 HD13 ' CD1' ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.746 ' CA ' HD13 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.955 ' HB3' ' HA2' ' A' ' 7' ' ' GLY . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.467 ' CB ' ' HB2' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.725 ' N ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -55.45 88.64 0.01 OUTLIER 'General case' 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.73 125.45 41.2 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 121.937 2.153 . . . . 0.0 111.574 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.36 166.96 31.0 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.741 0.782 . . . . 0.0 110.874 173.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.7 p -142.38 -162.11 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.702 0.763 . . . . 0.0 110.756 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.037 0.923 . . . . 0.0 110.968 179.163 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.254 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.92 88.5 2.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.01 0.909 . . . . 0.0 111.021 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.7 96.72 0.1 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.96 -35.87 4.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.922 0.868 . . . . 0.0 110.934 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.23 131.05 10.46 Favored Glycine 0 C--N 1.32 -0.307 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.49 119.0 3.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.985 0.898 . . . . 0.0 110.994 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -109.35 0.13 Allowed Glycine 0 C--N 1.32 -0.312 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.49 -134.0 0.12 Allowed 'General case' 0 C--O 1.249 1.051 0 O-C-N 122.036 -0.685 . . . . 0.0 110.509 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.605 ' HA3' ' CB ' ' A' ' 40' ' ' LYS . . . -98.74 -133.24 7.97 Favored Glycine 0 C--O 1.269 2.336 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -160.36 155.47 24.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.108 2.454 . . . . 0.0 112.414 -173.194 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG21 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.751 ' NH1' HD23 ' A' ' 99' ' ' LEU . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.028 ' HB3' HD12 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -59.67 179.04 0.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.889 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -36.01 140.4 0.12 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.42 1.105 . . . . 0.0 112.632 175.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.954 ' CZ3' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -101.66 156.88 17.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.896 0.855 . . . . 0.0 111.092 174.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -162.25 66.48 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.138 0.971 . . . . 0.0 110.996 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -82.16 -28.87 31.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.491 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.716 ' CG2' HG21 ' A' ' 24' ' ' THR . 1.0 OUTLIER -54.42 101.49 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -174.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.716 HG21 ' CG2' ' A' ' 23' ' ' THR . 0.1 OUTLIER 68.49 156.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.939 0.876 . . . . 0.0 110.999 176.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.13 153.1 0.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.935 0.874 . . . . 0.0 110.986 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -104.35 84.57 2.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.938 0.875 . . . . 0.0 110.986 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 139.98 58.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.001 0.905 . . . . 0.0 110.965 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -99.18 45.19 1.0 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.007 0.908 . . . . 0.0 110.995 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 179.98 91.27 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.725 0.774 . . . . 0.0 111.112 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -159.56 -174.93 4.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.433 1.111 . . . . 0.0 111.496 -173.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.545 ' HA ' ' CH2' ' A' ' 20' ' ' TRP . 0.1 OUTLIER 75.81 -169.88 0.09 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.895 1.331 . . . . 0.0 111.119 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.862 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 -82.35 157.07 23.91 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.136 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.712 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.591 ' HE1' HG21 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.814 ' HB3' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.757 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 1.006 ' HB1' ' CG2' ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.802 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.802 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.814 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.643 ' CE1' HG22 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.712 ' HA ' HG13 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.89 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.626 HG21 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.89 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.957 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.957 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.537 ' HA ' HG21 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.674 ' HB2' HD23 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.922 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 69' ' ' LEU . 2.3 m-80 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.952 ' HB1' ' CD2' ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.93 ' CG1' HG21 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . -63.87 162.22 14.07 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.14 -82.49 0.39 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.926 0.869 . . . . 0.0 111.636 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.29 70.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.018 0.913 . . . . 0.0 111.38 -172.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.551 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 10.7 m-85 -120.0 162.82 18.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.479 1.133 . . . . 0.0 111.19 173.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -107.86 33.96 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.322 1.534 . . . . 0.0 109.981 172.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt 153.08 128.27 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 126.357 1.863 . . . . 0.0 109.26 -171.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.659 ' O ' HG13 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.6 m-70 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.681 HG21 ' C ' ' A' ' 99' ' ' LEU . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.942 ' HG2' ' CG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.006 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.952 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.889 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.995 ' HB2' HG13 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.028 HD12 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.482 ' N ' HG21 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' HB2' ' CA ' ' A' ' 107' ' ' MET . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.578 ' HG2' HD23 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.479 ' O ' HG13 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.42 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.872 ' HB3' HD11 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.931 HG21 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD11 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.481 ' HG3' ' CA ' ' A' ' 9' ' ' GLY . 5.7 mm-40 -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.845 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -46.9 126.49 8.85 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 167.76 10.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 120.346 1.43 . . . . 0.0 111.106 -173.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 81.07 163.14 0.16 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.775 1.274 . . . . 0.0 111.351 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.3 p -52.11 107.73 0.23 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.105 0.955 . . . . 0.0 111.412 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.982 0.896 . . . . 0.0 110.971 173.179 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.267 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.18 -58.79 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.979 0.895 . . . . 0.0 111.003 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.46 34.97 55.49 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 m -81.41 -61.24 2.0 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.967 0.889 . . . . 0.0 110.994 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.3 -123.9 6.68 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.83 -160.54 0.11 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.822 0.82 . . . . 0.0 110.93 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -66.12 0.06 OUTLIER Glycine 0 C--O 1.238 0.392 0 CA-C-O 121.7 0.611 . . . . 0.0 111.582 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -135.18 -177.39 4.62 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.901 . . . . 0.0 111.348 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.62 ' HA3' ' CD ' ' A' ' 40' ' ' LYS . . . -64.73 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -130.12 161.42 31.11 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.756 -0.849 . . . . 0.0 110.047 172.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' HE3' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.487 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.192 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.65 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 178.11 161.54 0.59 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.85 ' HB3' ' HB3' ' A' ' 95' ' ' ALA . 8.1 pt-20 -35.22 151.82 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.664 1.186 . . . . 0.0 112.549 172.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.15 154.05 44.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.767 0.794 . . . . 0.0 111.253 -174.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.19 171.68 8.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.173 0.987 . . . . 0.0 111.063 174.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.0 -42.02 3.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.931 0.872 . . . . 0.0 111.032 -174.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.558 ' O ' HG21 ' A' ' 24' ' ' THR . 63.6 p -83.07 106.58 15.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.91 0.862 . . . . 0.0 111.015 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -179.89 147.11 0.26 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 111.015 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HG2' ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -58.97 -56.09 26.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.714 0.768 . . . . 0.0 110.467 174.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.556 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER 160.32 99.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 124.88 1.272 . . . . 0.0 110.264 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.28 -159.87 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.99 0.9 . . . . 0.0 111.143 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.42 91.77 0.09 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.904 0.859 . . . . 0.0 110.966 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 65.79 -172.17 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.801 0.81 . . . . 0.0 110.934 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -123.01 82.59 2.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.882 0.849 . . . . 0.0 111.009 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m 55.99 -149.44 0.46 Allowed 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.808 -0.558 . . . . 0.0 110.671 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.874 ' CH2' HG22 ' A' ' 86' ' ' VAL . 9.0 m0 -70.6 165.02 23.67 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.181 -0.949 . . . . 0.0 110.618 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.718 ' HE3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.842 ' O ' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 1.052 ' HB3' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.576 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' HD11 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.027 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.491 ' H ' ' HB3' ' A' ' 39' ' ' ALA . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG22 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.741 ' CB ' HG13 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.885 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.639 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.885 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.937 ' HA ' HG21 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.852 ' HB3' HD12 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD2' HD13 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.696 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 115' ' ' LYS . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' C ' HD11 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.498 HD11 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB1' ' CG1' ' A' ' 86' ' ' VAL . . . -63.53 153.87 34.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -126.97 -42.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.927 0.87 . . . . 0.0 111.168 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.64 59.48 0.87 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.823 1.297 . . . . 0.0 110.499 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CD2' ' CB ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -78.32 -74.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.636 -172.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 81' ' ' THR . 1.1 m 61.27 80.05 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.441 1.115 . . . . 0.0 109.926 -172.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 81' ' ' THR . 0.0 OUTLIER 89.91 -30.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 126.362 1.865 . . . . 0.0 110.719 -172.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 83' ' ' LYS . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.874 HG22 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.069 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.912 ' CG ' HD23 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.842 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.89 HD13 ' CD2' ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.742 HD22 HD12 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.85 ' HB3' ' HB3' ' A' ' 19' ' ' GLU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.926 HD12 ' CD2' ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.97 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.192 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.069 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.481 ' HG2' ' CD2' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.531 ' O ' HG13 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.963 ' HB3' HD13 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.947 HD11 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.762 ' HA ' HD11 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 1.052 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 2.2 m -25.28 -55.26 0.05 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.74 111.2 22.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.84 152.06 28.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.682 0.753 . . . . 0.0 110.995 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -126.58 -104.1 0.34 Allowed 'General case' 0 C--O 1.252 1.187 0 O-C-N 121.732 -0.605 . . . . 0.0 110.657 -175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.171 0 O-C-N 120.779 -1.201 . . . . 0.0 110.842 -176.131 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.297 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -160.15 161.38 33.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.867 0.842 . . . . 0.0 111.076 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.76 -47.92 0.87 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.35 -71.21 0.76 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' HA3' ' OE2' ' A' ' 8' ' ' GLU . . . 113.18 77.59 0.81 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -79.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.906 0.86 . . . . 0.0 110.994 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 101.53 2.3 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -173.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.578 ' OE2' ' HA3' ' A' ' 5' ' ' GLY . 1.3 mm-40 -120.42 105.38 10.82 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.994 -0.71 . . . . 0.0 111.155 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.6 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 0.38 -103.82 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.39 0 C-N-CA 124.981 1.277 . . . . 0.0 115.109 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.601 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -157.95 -177.05 6.28 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 173.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.867 HG21 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' HB ' ' HB3' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.867 ' HG2' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.647 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' HB3' ' HE2' ' A' ' 37' ' ' MET . 18.1 p-80 -173.7 30.11 0.01 OUTLIER 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -178.63 140.91 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.337 -0.852 . . . . 0.0 111.389 -173.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 1.154 ' CZ3' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -177.16 80.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.559 0.695 . . . . 0.0 111.287 175.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -103.03 66.9 0.93 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.789 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 90.67 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.883 0.849 . . . . 0.0 110.903 -173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -82.43 136.75 34.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.009 0.909 . . . . 0.0 110.991 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.42 -169.13 2.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.8 0.809 . . . . 0.0 110.962 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.651 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 31.7 pttt -137.59 103.6 5.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.484 1.135 . . . . 0.0 110.919 173.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -174.19 -54.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.972 0.891 . . . . 0.0 110.97 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.93 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.895 0.855 . . . . 0.0 111.021 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -68.63 155.43 40.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.074 0.94 . . . . 0.0 110.929 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.31 75.14 0.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.037 0.922 . . . . 0.0 111.024 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -57.09 170.39 0.46 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.984 0.897 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -162.04 0.35 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.6 0.714 . . . . 0.0 110.837 -176.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.927 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 5.2 m0 -74.53 145.46 43.45 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.779 -0.575 . . . . 0.0 110.46 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE2' ' HB3' ' A' ' 18' ' ' HIS . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 1.049 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 1.055 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.049 HD11 ' HB3' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.724 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.908 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' HB3' ' HG2' ' A' ' 54' ' ' LYS . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.994 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HB3' ' A' ' 50' ' ' GLN . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.744 HD12 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.518 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.994 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.894 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.894 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.516 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 1.023 ' HB3' HD22 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 69' ' ' LEU . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 1.014 ' HB1' HD21 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.981 HD13 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.897 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . -57.12 173.76 0.21 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -164.59 -46.67 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.605 -0.684 . . . . 0.0 111.623 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -93.45 -28.02 16.36 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.637 -0.664 . . . . 0.0 111.912 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -67.61 -172.76 0.27 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.234 1.016 . . . . 0.0 111.489 -173.148 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.98 -44.67 1.04 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.003 0.906 . . . . 0.0 110.966 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -53.48 4.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.665 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.897 HG13 ' HB1' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.101 HD13 HD11 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.927 ' HB3' HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 1.023 HD22 ' HB3' ' A' ' 69' ' ' LEU . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.481 ' ND2' HD11 ' A' ' 91' ' ' LEU . 2.1 p30 -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 HD23 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.154 HD11 ' CZ3' ' A' ' 20' ' ' TRP . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.101 HD11 HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.471 ' HA ' ' CB ' ' A' ' 107' ' ' MET . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.665 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.662 ' O ' HG13 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.72 ' HB3' HD13 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.847 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.984 ' CD1' HD13 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.96 ' HA ' HD11 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.507 ' NE2' ' HG3' ' A' ' 40' ' ' LYS . 17.6 mm100 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 1.055 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.5 -33.5 1.13 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.09 156.36 18.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.31 1.052 . . . . 0.0 111.078 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -98.39 151.58 20.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.95 0.881 . . . . 0.0 111.071 174.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 p -159.79 139.93 11.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.944 0.878 . . . . 0.0 111.043 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.223 0 CA-C-O 121.938 0.875 . . . . 0.0 111.022 174.278 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.278 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.12 179.84 0.2 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.892 0.853 . . . . 0.0 111.009 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.78 1.27 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -62.64 -75.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.99 0.9 . . . . 0.0 110.943 176.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 4' ' ' THR . . . -173.3 75.4 0.09 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.41 -48.41 34.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.999 0.904 . . . . 0.0 110.844 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.06 48.76 5.9 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -139.3 -165.36 1.84 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.84 -0.8 . . . . 0.0 111.759 -173.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.621 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -59.36 -154.1 0.01 OUTLIER Glycine 0 CA--C 1.522 0.478 0 CA-C-O 124.314 2.064 . . . . 0.0 113.449 173.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -132.2 157.14 45.1 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 113.713 -1.244 . . . . 0.0 109.894 172.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.994 HG12 ' HB1' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.649 HG21 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.995 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -140.52 173.93 11.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.876 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 1.7 tm-20 -30.7 101.46 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.38 1.086 . . . . 0.0 112.555 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.641 ' H ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -77.56 146.31 36.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.132 178.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -160.4 1.04 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.007 0.908 . . . . 0.0 111.187 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.03 156.78 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.964 0.888 . . . . 0.0 110.915 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.9 m -72.7 154.38 40.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.97 0.89 . . . . 0.0 110.95 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.15 125.77 28.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.827 0.822 . . . . 0.0 111.016 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.61 88.77 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.899 0.857 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -56.44 99.68 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.042 -173.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -177.42 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.781 0.801 . . . . 0.0 111.127 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.09 153.36 1.94 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.745 0.783 . . . . 0.0 110.912 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.25 165.51 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.235 1.017 . . . . 0.0 111.446 -173.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 64.03 -111.92 0.32 Allowed 'General case' 0 C--O 1.253 1.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 85.36 -19.94 0.3 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 120.383 1.447 . . . . 0.0 112.627 172.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.798 ' CH2' HG22 ' A' ' 86' ' ' VAL . 30.6 m95 -63.22 139.05 58.73 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.482 -0.762 . . . . 0.0 109.726 172.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG11 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.532 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.628 ' H ' HD11 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.825 ' HB2' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.679 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.035 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.51 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.75 ' O ' HG22 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.727 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.746 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.746 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.727 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.533 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.71 ' OE2' HD21 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' HG21 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HD12 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 69' ' ' LEU . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.68 ' HB1' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.57 124.65 7.3 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.5 46.85 0.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.163 0.983 . . . . 0.0 110.862 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -179.58 83.3 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.849 0.833 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.833 ' CZ ' ' HG3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -142.84 164.59 29.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.142 1.449 . . . . 0.0 111.91 -173.054 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -106.27 -51.2 3.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 123.784 1.754 . . . . 0.0 109.417 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -148.79 25.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.356 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.833 ' HG3' ' CZ ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 83' ' ' LYS . 42.7 m-70 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.798 HG22 ' CH2' ' A' ' 32' ' ' TRP . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.862 HD12 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.947 ' HB2' HD21 ' A' ' 98' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.665 HG13 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.674 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.68 ' CD2' ' HB1' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.876 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.902 HD22 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.803 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.045 ' C ' HD21 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.045 HD21 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.994 ' HB1' HG12 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.671 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.847 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 1.0 ' HB3' HD11 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.862 ' HB ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.854 HD13 HD13 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.439 ' HG2' ' HG2' ' A' ' 40' ' ' LYS . 2.6 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.825 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -49.17 154.86 0.74 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -135.53 111.7 9.67 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.295 -1.503 . . . . 0.0 110.567 171.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.411 ' C ' HG21 ' A' ' 121' ' ' THR . 22.6 t -114.51 138.45 50.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.098 0.951 . . . . 0.0 111.713 -173.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.411 HG21 ' C ' ' A' ' 120' ' ' SER . 0.4 OUTLIER 66.03 142.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.779 1.276 . . . . 0.0 110.945 -177.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.104 0 CA-C-O 121.982 0.896 . . . . 0.0 111.053 -173.445 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.86 74.25 0.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.006 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.57 70.16 0.9 Allowed Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -114.57 113.65 24.68 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.761 0.791 . . . . 0.0 110.93 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.85 86.16 1.39 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.0 -50.56 6.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.96 0.886 . . . . 0.0 110.979 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.06 -97.44 1.26 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.95 -137.33 0.35 Allowed 'General case' 0 C--O 1.25 1.115 0 O-C-N 122.119 -0.636 . . . . 0.0 110.678 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.532 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -54.16 -166.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-O 124.693 2.274 . . . . 0.0 115.338 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -108.3 154.71 21.41 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 121.302 -1.117 . . . . 0.0 109.86 -172.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 HG21 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.512 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.76 HH12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.866 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 25.4 p80 -59.84 157.15 12.82 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.815 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -9.8 113.12 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 126.981 2.112 . . . . 0.0 114.211 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.866 ' CZ3' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -82.85 85.55 7.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.638 0.732 . . . . 0.0 111.058 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -169.72 158.26 7.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.806 0.813 . . . . 0.0 111.186 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.46 146.43 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.755 1.264 . . . . 0.0 111.527 173.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.31 56.82 7.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.149 0.976 . . . . 0.0 110.95 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.416 ' C ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -163.53 127.07 2.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.738 0.78 . . . . 0.0 110.949 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -134.3 33.63 3.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.559 0.695 . . . . 0.0 111.349 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 54.48 59.07 4.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.084 0.945 . . . . 0.0 110.978 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.41 -70.6 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.895 0.855 . . . . 0.0 110.994 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -118.49 114.3 22.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.812 0.815 . . . . 0.0 110.982 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -60.38 97.41 0.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.849 0.833 . . . . 0.0 111.0 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -90.41 -38.04 13.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.73 0.776 . . . . 0.0 111.477 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 78.13 -152.0 0.02 OUTLIER 'General case' 0 C--O 1.247 0.964 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.739 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 86' ' ' VAL . 11.4 m0 -61.86 154.99 24.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.014 -1.053 . . . . 0.0 110.726 -175.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.486 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 1.093 ' HB2' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.822 ' CB ' HD21 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB3' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.093 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.716 ' H ' ' HB3' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.864 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.783 ' HD2' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.753 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.521 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD22 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.753 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.864 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.913 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.913 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CG ' HD23 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.407 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.938 HD11 HD12 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.656 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.673 HD13 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.947 ' HB1' HG13 ' A' ' 86' ' ' VAL . . . 50.07 -159.47 0.07 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 177.7 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.316 1.055 . . . . 0.0 111.158 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -133.34 71.51 1.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.776 1.274 . . . . 0.0 110.59 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 1.158 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 34.7 p90 -94.92 165.03 12.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.949 1.833 . . . . 0.0 113.11 -172.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -146.48 80.24 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.56 26.44 1.94 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 -169.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 1.158 ' HG2' ' CE2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 83' ' ' LYS . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.947 HG13 ' HB1' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.85 HD22 HD11 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.685 ' CG ' HD23 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.862 HD13 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.815 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.891 ' CE2' HD12 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.869 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.869 HD22 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 21.5 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.688 ' HB3' HD22 ' A' ' 87' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.663 HG21 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.477 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.822 HD21 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.648 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.862 ' CA ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -49.49 158.36 0.43 Allowed 'General case' 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.441 ' OD1' HG21 ' A' ' 121' ' ' THR . 0.0 OUTLIER -72.66 -51.31 19.96 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.187 -1.571 . . . . 0.0 111.443 -173.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 t 64.74 129.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.197 1.475 . . . . 0.0 111.298 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.441 HG21 ' OD1' ' A' ' 119' ' ' ASP . 51.2 p -126.18 41.37 3.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.202 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.13 0 CA-C-O 122.096 0.95 . . . . 0.0 110.95 174.196 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.26 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.34 164.66 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.913 0.863 . . . . 0.0 110.981 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.52 2.34 Favored Glycine 0 C--N 1.321 -0.276 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.866 ' CG2' ' HA2' ' A' ' 7' ' ' GLY . 24.6 m -153.23 101.78 2.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.902 0.858 . . . . 0.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.9 -65.98 1.33 Allowed Glycine 0 C--N 1.321 -0.299 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.59 -38.54 39.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.885 0.85 . . . . 0.0 111.071 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.866 ' HA2' ' CG2' ' A' ' 4' ' ' THR . . . 90.01 -156.22 25.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 121.939 0.744 . . . . 0.0 111.322 175.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.41 -164.15 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.057 -0.673 . . . . 0.0 110.939 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.554 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 2.44 -133.39 0.0 OUTLIER Glycine 0 C--O 1.243 0.672 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 -171.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.593 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -141.14 178.86 7.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.761 -1.435 . . . . 0.0 111.1 -177.191 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG23 ' HE2' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.525 HG23 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.902 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 -105.37 43.86 1.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 6.4 pt-20 179.92 146.42 0.23 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.029 0.919 . . . . 0.0 112.029 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.902 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -174.9 58.45 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.494 1.14 . . . . 0.0 110.554 172.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -128.3 141.07 51.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.947 0.88 . . . . 0.0 110.975 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.38 -162.68 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.963 0.887 . . . . 0.0 111.027 173.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -78.47 120.74 23.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.805 0.812 . . . . 0.0 111.057 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 p -86.12 130.56 34.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.853 0.835 . . . . 0.0 111.002 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 5.0 ptpt -97.85 -164.28 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.783 0.802 . . . . 0.0 111.04 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 73.28 138.9 0.06 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.924 0.869 . . . . 0.0 110.932 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.48 41.97 1.41 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.945 0.878 . . . . 0.0 110.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -114.23 125.68 54.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.765 0.793 . . . . 0.0 111.001 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m120 53.82 -169.06 0.06 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.491 0.663 . . . . 0.0 110.806 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -148.07 -55.54 0.21 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.93 0.871 . . . . 0.0 111.222 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -150.54 0.38 Allowed 'General case' 0 C--O 1.246 0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.752 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.759 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 -61.63 133.36 55.54 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.174 -0.954 . . . . 0.0 110.321 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.651 ' HE2' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.715 ' HB3' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.554 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.923 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.703 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.715 HG13 ' HB3' ' A' ' 39' ' ' ALA . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.678 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' CE2' HG23 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.954 ' HB3' HG22 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD3' ' CD2' ' A' ' 61' ' ' PHE . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 1.021 ' HD2' ' HB3' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.855 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CD1' HG23 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.652 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.652 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.954 HG22 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.021 ' HB3' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.815 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.815 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.619 ' HA ' HG21 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.421 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.703 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.834 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.835 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB3' ' HD1' ' A' ' 80' ' ' TYR . . . 55.29 -161.46 0.16 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.36 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.562 1.172 . . . . 0.0 110.924 -173.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -127.78 70.54 1.34 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.183 0.992 . . . . 0.0 110.122 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 81' ' ' THR . 0.1 OUTLIER -74.08 -79.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.855 -172.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER 74.59 70.35 0.1 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.282 2.467 . . . . 0.0 109.749 -172.404 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 71.58 8.28 6.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.428 -172.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 80' ' ' TYR . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.583 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 83' ' ' LYS . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.652 HG22 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.907 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 1.152 ' HG2' HD23 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.874 HG12 HD12 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.494 ' HZ3' HD23 ' A' ' 96' ' ' LEU . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD23 ' HG ' ' A' ' 69' ' ' LEU . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 1.075 ' CD1' HD22 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.729 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.152 HD23 ' HG2' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 107' ' ' MET . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.649 ' HG2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.869 ' O ' HG21 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.54 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.696 ' HB3' HD11 ' A' ' 99' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.814 ' N ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.938 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.835 ' HA ' HD11 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.577 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.5 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.888 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -41.74 -76.34 0.03 OUTLIER 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 108.85 19.98 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.201 -0.937 . . . . 0.0 111.683 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.08 -161.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.863 0.84 . . . . 0.0 111.316 173.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.4 p -147.83 178.12 8.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.417 1.103 . . . . 0.0 110.43 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.273 2.319 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.303 -177.118 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.257 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -105.79 -27.36 11.31 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.963 -0.727 . . . . 0.0 111.156 -173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.88 102.37 0.17 Allowed Glycine 0 N--CA 1.461 0.332 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -132.92 75.82 1.65 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.888 0.851 . . . . 0.0 111.004 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.22 89.13 Favored Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.12 169.63 13.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.924 0.868 . . . . 0.0 110.967 -176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.16 46.81 Favored Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 34.3 mm-40 -166.79 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.489 1.137 . . . . 0.0 110.531 -173.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.637 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -63.54 -104.78 0.01 OUTLIER Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 174.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.43 166.73 28.74 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 174.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.764 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -170.27 173.74 5.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.575 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 10.3 pm0 -8.73 94.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.652 1.981 . . . . 0.0 113.979 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.505 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.75 78.46 2.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.591 1.186 . . . . 0.0 110.756 173.176 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 104.76 2.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.869 0.843 . . . . 0.0 110.934 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -166.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.84 0.828 . . . . 0.0 110.974 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.5 m 50.37 80.93 0.07 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.173 0.987 . . . . 0.0 111.029 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.497 HG23 ' NH1' ' A' ' 30' ' ' ARG . 47.5 p -150.05 -39.67 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.552 0.691 . . . . 0.0 111.146 -173.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt 66.39 104.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.758 1.266 . . . . 0.0 111.004 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 pttt 49.17 29.01 2.38 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.372 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.78 78.52 0.29 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.937 0.875 . . . . 0.0 110.939 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 p -83.95 -165.64 1.19 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.931 0.872 . . . . 0.0 111.023 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.27 156.74 44.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.931 0.872 . . . . 0.0 110.984 177.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NH1' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -170.03 -47.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.731 0.777 . . . . 0.0 111.086 177.253 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 58.26 -165.29 0.17 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.811 ' CH2' HG22 ' A' ' 86' ' ' VAL . 8.8 m95 -68.63 156.32 38.36 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.431 -0.793 . . . . 0.0 110.381 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.879 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HA ' HG22 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.858 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.959 HG21 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.798 ' HB3' HG22 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.879 ' HA ' HG13 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.692 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 1.062 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.674 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.798 HG22 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 1.062 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.671 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.959 ' HA ' HG21 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.795 ' CD1' HD11 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' C ' ' ND2' ' A' ' 71' ' ' ASN . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 70' ' ' GLN . 10.8 m-80 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' O ' HG21 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.798 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.73 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 58.81 49.77 9.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.026 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -164.34 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.957 0.884 . . . . 0.0 111.177 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -84.96 158.99 20.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.97 0.89 . . . . 0.0 111.29 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -105.22 127.47 52.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.81 0.814 . . . . 0.0 111.0 176.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 81' ' ' THR . 0.0 OUTLIER 85.35 -36.03 0.05 OUTLIER 'General case' 0 C--O 1.247 0.939 0 C-N-CA 125.539 1.535 . . . . 0.0 110.398 -172.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.811 HG22 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.044 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.927 ' HG2' HD21 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' ND2' HD22 ' A' ' 91' ' ' LEU . 6.1 p30 -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.855 ' O ' HD22 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.888 ' HB2' HD21 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 1.078 ' CD1' HD23 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.662 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.078 HD23 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.522 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.656 ' O ' HG13 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.838 ' HB3' HD13 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.862 ' CA ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.037 ' CD1' HD13 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.798 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.516 ' NE2' ' N ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.7 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.44 -37.93 2.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -146.65 166.54 26.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.848 0.833 . . . . 0.0 111.212 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.424 ' O ' HG21 ' A' ' 121' ' ' THR . 1.3 p -143.95 160.47 40.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.763 0.792 . . . . 0.0 111.129 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 120' ' ' SER . 4.1 p -162.36 147.34 12.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.997 0.903 . . . . 0.0 111.104 -174.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.007 0.908 . . . . 0.0 111.031 173.466 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.267 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -136.25 148.38 48.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.856 0.836 . . . . 0.0 111.05 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.06 42.67 1.89 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.0 m -94.92 138.35 32.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.758 0.789 . . . . 0.0 110.977 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.43 -121.54 2.48 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-O 121.975 0.764 . . . . 0.0 111.34 -173.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.35 -86.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.69 0.757 . . . . 0.0 111.092 -173.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 -131.24 1.64 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.259 0.922 . . . . 0.0 111.77 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -152.58 0.51 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.872 -0.781 . . . . 0.0 110.78 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.56 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -60.2 -140.89 0.01 OUTLIER Glycine 0 C--O 1.237 0.305 0 CA-C-O 122.605 1.114 . . . . 0.0 113.454 173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.6 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER -142.07 160.24 40.61 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.343 -1.092 . . . . 0.0 110.875 -172.471 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.755 HG23 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.881 ' NE ' HD21 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.471 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -175.68 34.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.842 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -179.67 150.14 0.4 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.811 0.815 . . . . 0.0 111.036 -173.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 174.17 144.74 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.812 0.815 . . . . 0.0 111.141 -177.384 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -158.4 0.75 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.2 0.524 . . . . 0.0 110.881 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.91 34.54 0.48 Allowed 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.507 -0.746 . . . . 0.0 111.647 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.74 -87.83 0.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.952 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.2 m -159.56 84.93 0.77 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.79 0.805 . . . . 0.0 110.958 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.15 98.17 7.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.949 0.88 . . . . 0.0 110.953 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -160.7 84.49 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.826 0.822 . . . . 0.0 111.036 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 31.71 0.33 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.709 0.766 . . . . 0.0 111.026 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.79 -168.87 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.922 0.868 . . . . 0.0 111.14 -174.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -138.49 82.73 1.92 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.829 0.823 . . . . 0.0 110.935 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -170.05 115.56 0.52 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.948 0.88 . . . . 0.0 111.029 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -156.0 -107.45 0.03 OUTLIER 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.352 -173.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.755 ' HB3' HG23 ' A' ' 15' ' ' THR . 35.3 m95 -60.08 116.33 4.1 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.134 -0.979 . . . . 0.0 110.771 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.786 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.786 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.664 ' N ' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.514 ' HE2' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.61 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 1.098 ' HB3' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.56 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 1.006 ' HB1' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.803 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.803 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.098 ' CD1' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.61 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.719 ' CZ ' HG23 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.934 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.503 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.934 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.92 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.92 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.535 ' HA ' HG21 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.673 ' HB3' HD11 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.62 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.78 HD11 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 50.36 -152.52 0.17 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -152.95 -81.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.946 0.879 . . . . 0.0 110.843 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.11 33.39 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.828 0.823 . . . . 0.0 111.217 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.694 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -80.75 179.35 7.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.862 0.839 . . . . 0.0 111.101 -176.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -47.51 2.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.663 0.744 . . . . 0.0 111.379 -174.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 -41.13 4.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 173.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.469 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.817 ' C ' HD22 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 1.073 ' CG ' HD23 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.804 ' HD2' HD22 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.809 HD22 HD22 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.809 HD22 HD22 ' A' ' 91' ' ' LEU . 12.0 p30 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.842 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 1.041 ' CD1' HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.797 ' HD2' HG11 ' A' ' 89' ' ' VAL . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.073 HD23 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.992 HD13 HD22 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' HG21 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.532 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.453 ' O ' HG13 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.694 ' HB2' HD13 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.949 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.6 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.992 HD22 HD13 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.78 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 1.006 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.983 ' HA ' ' HB2' ' A' ' 41' ' ' ALA . 1.3 t -25.47 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.8 93.97 3.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.917 0.865 . . . . 0.0 110.942 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 132.47 15.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.021 0.915 . . . . 0.0 111.024 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 p -72.68 -5.56 38.41 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.838 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.994 -1.066 . . . . 0.0 111.339 175.577 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.277 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -92.48 108.25 19.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.07 -33.06 2.5 Favored Glycine 0 C--O 1.236 0.281 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -98.72 51.37 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.247 1.022 . . . . 0.0 110.943 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.26 -39.16 0.31 Allowed Glycine 0 C--O 1.239 0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.459 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.13 -44.99 32.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.724 0.773 . . . . 0.0 111.503 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.39 -178.6 30.84 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -138.26 -120.93 0.13 Allowed 'General case' 0 C--O 1.254 1.335 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.2 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.606 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -51.45 -87.35 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 172.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -164.92 168.1 17.94 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.742 -1.229 . . . . 0.0 111.315 173.279 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.535 ' N ' HG21 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.819 ' NE ' HG23 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.103 ' HG2' HD12 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -101.44 64.21 1.0 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.78 -140.19 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.848 -173.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.645 ' CE3' ' HG3' ' A' ' 17' ' ' LYS . 11.6 m-90 71.98 112.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.17 1.388 . . . . 0.0 111.24 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 79.91 151.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.321 1.057 . . . . 0.0 111.325 173.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.2 127.27 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.902 0.858 . . . . 0.0 111.005 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p 51.49 -157.55 0.12 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.463 HG23 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 69.63 -163.98 0.17 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.741 0.781 . . . . 0.0 110.809 174.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' H ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -136.3 174.66 10.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.07 0.938 . . . . 0.0 111.117 178.287 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 90.9 7.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.854 0.835 . . . . 0.0 111.041 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.58 165.01 11.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.982 0.896 . . . . 0.0 110.974 -174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -76.89 -27.86 55.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.441 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -56.09 101.99 0.07 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.382 -0.823 . . . . 0.0 111.217 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -112.2 33.91 4.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.89 0.853 . . . . 0.0 111.016 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -146.83 162.52 38.44 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.863 0.84 . . . . 0.0 110.939 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.737 ' CZ2' HD23 ' A' ' 98' ' ' LEU . 16.0 m0 -72.34 143.65 48.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 -174.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 HG23 ' HG2' ' A' ' 37' ' ' MET . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 13' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.973 ' CE ' ' HB2' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.973 ' HB2' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.723 ' HB3' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.729 ' CB ' HG22 ' A' ' 89' ' ' VAL . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.049 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.656 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.049 ' CE2' HG23 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' HB2' ' CG ' ' A' ' 61' ' ' PHE . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.99 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.55 ' N ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.981 ' CE1' HG23 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.981 HG23 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.99 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 64' ' ' GLU . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.599 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.599 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.431 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.766 HD12 ' CE1' ' A' ' 97' ' ' PHE . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.1 m-80 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 1.039 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.837 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.14 139.11 42.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -98.82 -29.8 12.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.391 0.615 . . . . 0.0 111.677 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -114.1 65.8 0.67 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.778 1.275 . . . . 0.0 110.0 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 81' ' ' THR . 24.0 p90 -92.19 -45.18 8.38 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.512 ' N ' ' CD1' ' A' ' 80' ' ' TYR . 2.1 m 62.21 -85.34 0.02 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.135 -0.978 . . . . 0.0 109.76 -171.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' HG3' HG23 ' A' ' 81' ' ' THR . 1.2 mtpp -116.74 38.58 3.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 171.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' HG13 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 83' ' ' LYS . 20.3 m-70 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.975 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.837 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' HD3' HD22 ' A' ' 96' ' ' LEU . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 1.039 HD21 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.603 HD22 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.766 ' CE1' HD12 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 1.103 HD12 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.975 HD11 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.518 ' N ' HG21 ' A' ' 86' ' ' VAL . 29.0 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' A' ' 107' ' ' MET . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.441 ' HB2' ' HA ' ' A' ' 104' ' ' ASP . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.838 ' O ' HG13 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.834 ' HB3' HD13 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.755 ' CD1' HD13 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.677 ' HA ' HD11 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.491 ' NE2' ' N ' ' A' ' 9' ' ' GLY . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.7 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 2.1 t -30.73 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.09 167.38 10.22 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.001 0.905 . . . . 0.0 111.226 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -115.27 -32.34 5.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.567 0.699 . . . . 0.0 111.36 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.2 p -67.2 103.32 1.2 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.233 1.016 . . . . 0.0 111.03 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.162 0 CA-C-O 122.054 0.93 . . . . 0.0 110.99 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.308 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.53 -88.44 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.867 0.841 . . . . 0.0 110.982 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.61 1.54 Allowed Glycine 0 C--N 1.32 -0.341 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.56 97.53 5.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.779 0.799 . . . . 0.0 110.911 -173.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.88 129.12 1.18 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.46 -165.81 1.44 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.914 0.864 . . . . 0.0 111.09 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.46 104.57 1.48 Allowed Glycine 0 C--O 1.238 0.399 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -150.14 69.42 1.01 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.701 -0.882 . . . . 0.0 110.743 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -65.94 -131.35 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 CA-C-O 122.44 1.022 . . . . 0.0 113.583 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -142.12 162.03 36.51 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.7 -0.882 . . . . 0.0 110.334 173.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.491 ' NH1' ' HB2' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.989 ' HG2' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.007 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -27.01 107.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 124.535 1.134 . . . . 0.0 112.924 173.246 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.989 ' CZ2' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.15 -32.63 21.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.927 0.87 . . . . 0.0 111.043 -178.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.86 -14.63 0.53 Allowed 'General case' 0 C--O 1.248 0.984 0 C-N-CA 123.875 0.87 . . . . 0.0 111.961 173.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 86.26 -80.54 0.02 OUTLIER 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.08 -1.012 . . . . 0.0 110.577 173.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -79.45 129.66 34.68 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.063 -1.023 . . . . 0.0 111.076 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.51 166.15 34.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 111.026 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -84.37 161.94 20.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.918 0.866 . . . . 0.0 111.063 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 64.97 -158.42 0.29 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.487 0.66 . . . . 0.0 110.778 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.16 60.17 0.65 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.976 0.893 . . . . 0.0 111.08 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.61 133.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.013 0.911 . . . . 0.0 110.978 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -106.84 121.63 44.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.854 0.835 . . . . 0.0 111.03 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mtt85 61.35 -105.37 0.2 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.667 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -160.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.724 -1.235 . . . . 0.0 111.326 -173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 86' ' ' VAL . 6.2 m0 -63.67 174.76 1.27 Allowed 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 175.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.465 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE2' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.666 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.93 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.725 ' C ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.818 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.629 ' O ' HD11 ' A' ' 44' ' ' ILE . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.93 HD11 ' HB3' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.497 ' H ' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' HH ' ' HB3' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.798 ' HA ' HG13 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.905 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' SER . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' O ' HD21 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.5 HD21 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.905 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.543 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.843 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.843 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.491 ' HA ' HG21 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.533 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.614 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.818 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 69' ' ' LEU . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.786 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.75 HD13 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 1.022 ' HB2' ' CE2' ' A' ' 80' ' ' TYR . . . -61.85 167.99 3.38 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -51.33 1.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 111.48 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.73 63.04 0.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.605 1.193 . . . . 0.0 110.294 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 1.163 ' CE1' ' HG3' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -69.39 -58.36 4.1 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -172.322 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER 54.03 40.0 31.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 124.013 1.863 . . . . 0.0 107.193 -169.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 81' ' ' THR . 8.1 ttmt 101.07 128.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 128.235 2.614 . . . . 0.0 107.797 -168.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.557 ' O ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 1.163 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.459 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 15.7 m-70 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.699 HG21 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 1.019 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.786 HG21 ' HB3' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.737 ' HB3' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.638 ' ND2' HD21 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 1.007 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.567 HD12 ' CZ3' ' A' ' 20' ' ' TRP . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.837 ' CD1' HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.699 ' N ' HG21 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.575 ' HB2' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.758 ' O ' HG13 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 1.002 ' HB3' HD13 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.954 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 1.019 ' CD1' HD11 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.66 ' HA ' HD11 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.577 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.552 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -34.03 93.57 0.01 OUTLIER 'General case' 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -133.35 174.56 10.27 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 121.368 1.895 . . . . 0.0 112.085 -170.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.578 ' O ' HG21 ' A' ' 121' ' ' THR . 16.2 p -100.14 -114.54 0.17 Allowed 'General case' 0 C--O 1.254 1.335 0 O-C-N 121.833 -0.542 . . . . 0.0 110.626 173.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 120' ' ' SER . 1.0 OUTLIER -165.19 142.21 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.468 -1.395 . . . . 0.0 111.271 -178.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.194 0 CA-C-O 122.094 0.949 . . . . 0.0 110.97 178.327 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.56 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.807 ' CZ ' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.01 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.01 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.881 0.848 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.546 ' HE3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' HA3' ' NE2' ' A' ' 117' ' ' GLN . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.809 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.917 HG22 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.71 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.635 HG22 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.71 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.917 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.809 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.625 ' HG ' HD23 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.564 HD11 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD2' ' CH2' ' A' ' 32' ' ' TRP . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.974 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 1.021 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' C ' ' HB1' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.589 ' OD1' HD22 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.837 ' HB3' HD13 ' A' ' 91' ' ' LEU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.021 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.049 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' CA ' HG23 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.95 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.896 ' O ' HG23 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.534 ' HA ' HG23 ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.944 ' HB3' HD11 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.52 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.964 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.605 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.789 ' NH2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.005 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG12 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.592 ' HE2' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.906 ' CB ' HG21 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.997 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.722 ' CE1' HG23 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.806 ' HB3' HG21 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.82 ' CB ' HG12 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.886 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.569 ' CB ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.806 HG21 ' HB3' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.886 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.901 ' HB3' HD22 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.997 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.901 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.964 HD12 HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.868 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.906 HG21 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.775 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.877 HD22 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.877 ' ND2' HD22 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.686 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.868 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.857 ' O ' HG12 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.923 ' HB3' HD11 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 87' ' ' LEU . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 120.706 0.289 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.792 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.792 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 . . . . . 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 6.2 m0 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.713 ' CE ' HG21 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.901 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.819 ' O ' HG11 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.901 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CE1' HG23 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.032 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.671 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.671 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.032 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.624 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD2' HD23 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.558 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB3' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.776 0.798 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.697 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.819 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.612 ' HG3' HD22 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.504 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.968 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.033 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.611 ' HB1' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.611 ' CG ' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.503 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.705 ' HB3' HD11 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.881 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.576 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.786 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.823 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 . . . . . 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.604 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 25.8 m95 . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.811 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.77 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.776 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.873 ' O ' HD12 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.929 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.929 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.875 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.875 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB2' HD13 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.729 ' CD2' HD23 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.597 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.993 HD11 HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.781 ' CG ' HD22 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.757 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.586 HD21 HD22 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.444 ' C ' HD13 ' A' ' 96' ' ' LEU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.766 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.921 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.625 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.407 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.851 ' O ' HG23 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.525 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.933 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.674 ' HA ' HD13 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.776 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 122.928 1.347 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.774 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' NH1' HG21 ' A' ' 35' ' ' VAL . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.912 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' ND1' ' HG3' ' A' ' 16' ' ' ARG . 1.5 m80 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.102 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 9.5 m0 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.47 0.653 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' NH1' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.774 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.651 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.867 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.867 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.523 ' HG3' ' H ' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.058 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.637 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.058 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.919 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.481 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.003 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 86' ' ' VAL . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.914 ' CB ' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.896 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.693 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.003 HD23 ' HB2' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.833 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' HG13 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.102 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CD ' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.645 ' HB3' HD12 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.914 HG23 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.679 ' CA ' HD11 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.448 ' NE2' ' HE3' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.678 ' N ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 123.246 1.498 . . . . 0.0 112.414 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.708 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HB3' HD13 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.831 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.568 ' HE2' HG23 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.79 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.681 ' HB2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.989 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.801 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.801 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' HE1' ' HB2' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.94 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.94 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.87 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.52 ' HA ' HG22 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.639 ' HB2' HD21 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.802 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.05 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 89' ' ' VAL . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.932 ' CG1' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' ALA . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' HG12 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.954 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.65 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.05 HD23 ' HB2' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.931 ' HB2' HG12 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.695 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.448 ' HB3' ' C ' ' A' ' 41' ' ' ALA . 5.7 mm-40 -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.811 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.474 0.654 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' HE3' ' A' ' 37' ' ' MET . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.144 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.652 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CH2' HG21 ' A' ' 86' ' ' VAL . 9.0 m0 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 121.47 0.653 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.588 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.006 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.8 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.021 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.006 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.712 ' O ' HG21 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.881 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.602 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.881 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.584 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.927 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.719 ' HB3' HD13 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.936 HD21 HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.478 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 114' ' ' LEU . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' HG22 ' A' ' 76' ' ' ILE . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.86 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.048 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.984 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.936 HD11 HD21 ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.654 HD21 HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB3' HD12 ' A' ' 91' ' ' LEU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.067 HD13 HD21 ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.929 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.144 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.048 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.474 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.552 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.871 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.871 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . 1.021 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 2.2 m . . . . . 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.619 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.806 HG23 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 . . . . . 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 5.2 m0 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.456 ' CD ' ' C ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.049 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.012 HD12 ' HB1' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.738 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.868 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.989 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.779 HD13 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.48 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.989 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' HD21 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.973 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.028 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 86' ' ' VAL . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.808 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.659 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.813 HG11 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.028 HD23 ' CB ' ' A' ' 72' ' ' ALA . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.965 ' C ' HD23 ' A' ' 99' ' ' LEU . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.814 ' HB3' HD11 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.012 HD11 HD11 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.924 ' HA ' HD12 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 42' ' ' GLY . 53.6 mm-40 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . 1.049 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.751 0 CA-C-O 121.196 0.522 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.025 HG11 ' HB2' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.973 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.778 ' CH2' HG21 ' A' ' 86' ' ' VAL . 30.6 m95 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.414 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' H ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.736 ' O ' HG21 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.713 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.739 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.736 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.713 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.729 ' OE2' HD23 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.639 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 122.108 0.956 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.822 ' C ' HD23 ' A' ' 87' ' ' LEU . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.912 ' NH1' HD23 ' A' ' 96' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.6 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.658 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.912 HD23 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.977 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.025 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.824 ' HG3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.951 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HB ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.791 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.256 1.414 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.719 HH12 HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.4 p80 . . . . . 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CH2' HG21 ' A' ' 86' ' ' VAL . 11.4 m0 . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.822 0.82 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.934 HG21 ' HE3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.934 ' HE3' HG21 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.082 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.847 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.861 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.082 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.592 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG21 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.849 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.724 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.849 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.915 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.915 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CG ' HD21 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.944 HD12 HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.65 HD11 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.351 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.869 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.636 ' HG3' HD22 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.768 ' CE2' HD13 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.891 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.683 ' HE3' HD21 ' A' ' 114' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.619 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.847 HD22 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.553 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.861 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 122.971 1.367 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG22 ' SD ' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.483 HG22 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.769 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 . . . . . 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 121.089 0.471 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.653 ' SD ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.537 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.706 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG21 ' CE2' ' A' ' 46' ' ' PHE . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.938 ' HB3' HG21 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.006 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CD1' HG22 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.651 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.938 HG21 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.006 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.773 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.617 ' HA ' HG22 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.725 ' O ' HD22 ' A' ' 69' ' ' LEU . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.776 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' A' ' 88' ' ' ARG . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.244 0.775 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 1.044 ' HG2' HD22 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.846 HG11 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.776 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.688 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.514 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.593 ' CB ' HD11 ' A' ' 87' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.869 ' HA ' HD12 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.574 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.2 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.862 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG21 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.827 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.805 ' CH2' HG21 ' A' ' 86' ' ' VAL . 8.8 m95 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 120.872 0.368 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.899 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.551 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG3' ' A' ' 40' ' ' LYS . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HA ' HG21 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.864 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.864 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.949 HG22 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.803 ' HB3' HG21 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.899 ' HA ' HG12 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.668 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.668 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.949 ' HA ' HG22 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.747 ' CD1' HD12 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.805 HG21 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.031 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.93 ' HG2' HD22 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.812 ' O ' HD23 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.862 ' HB3' HD22 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.055 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 1.031 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.867 ' HB3' HD11 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.851 ' CA ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.44 ' HG ' ' CE1' ' A' ' 10' ' ' HIS . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.688 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.226 0.536 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.907 ' NE ' HD22 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.715 ' HB3' HG22 ' A' ' 15' ' ' THR . 35.3 m95 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.903 0.858 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.772 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.772 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.651 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.458 ' HE3' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.785 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.785 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.084 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.612 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.915 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HG3' HD23 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.879 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.769 ' HB3' HD12 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD13 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.845 ' C ' HD23 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.845 HD23 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 1.041 ' CG ' HD22 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.781 ' HD2' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CE2' HD13 ' A' ' 69' ' ' LEU . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.041 HD22 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.992 HD11 HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HD12 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.615 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.992 HD21 HD11 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.968 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.949 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.3 t . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.065 0.936 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.769 HG22 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.769 ' NE ' HG22 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.784 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 16.0 m0 . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.941 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.941 ' HB3' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 118' ' ' SER . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.001 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.588 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 1.001 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.986 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.561 ' H ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.914 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.914 HG22 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.986 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.619 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.619 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' HB3' HD21 ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD22 HD21 ' A' ' 91' ' ' LEU . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.4 m120 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 1.027 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.81 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.518 ' O ' HG12 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' LYS . 14.6 m80 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.98 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.81 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.598 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.027 HD23 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD23 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.98 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.48 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.5 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.819 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.816 ' HB3' HD11 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' ' CB ' ' A' ' 40' ' ' LYS . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.691 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.1 t . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.308 0.575 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 6.2 m0 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.438 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.948 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.679 ' C ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.948 HD12 ' HB1' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.621 ' CE2' HG21 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.81 ' HA ' HG12 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.892 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.892 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.755 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.755 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.495 ' HA ' HG22 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' A' ' 69' ' ' LEU . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.697 HD11 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 8.1 ttmt . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.637 HG23 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.99 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG23 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.681 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.566 ' ND2' HD22 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.77 ' O ' HG12 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.915 ' HB3' HD11 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.99 ' CD1' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.525 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.312 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.73 -51.83 1.58 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.842 0.83 . . . . 0.0 111.058 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.21 -161.0 16.96 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -84.36 151.42 24.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.065 0.936 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 -138.43 3.78 Favored Glycine 0 C--O 1.236 0.264 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.27 -80.97 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.835 0.826 . . . . 0.0 111.025 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -135.82 7.52 Favored Glycine 0 C--N 1.32 -0.353 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.3 92.97 3.78 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.988 -0.713 . . . . 0.0 110.962 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 176.89 -163.39 32.26 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.678 1.155 . . . . 0.0 111.191 171.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.56 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -104.29 147.43 27.5 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 114.424 -0.888 . . . . 0.0 109.429 171.534 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.807 ' CZ ' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.01 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -176.98 0.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.899 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 1.9 tm-20 -19.4 129.1 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 125.293 1.437 . . . . 0.0 113.449 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.429 ' CE2' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -128.09 153.75 46.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.088 0.947 . . . . 0.0 111.906 -171.121 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -165.08 36.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.911 0.862 . . . . 0.0 110.868 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -137.0 153.97 50.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.835 0.826 . . . . 0.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 23' ' ' THR . 3.8 t -139.56 37.65 2.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.713 0.768 . . . . 0.0 111.074 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.38 126.59 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.74 0.781 . . . . 0.0 110.98 173.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.54 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.792 0.806 . . . . 0.0 111.238 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp 58.2 -98.21 0.08 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.38 -59.77 2.62 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.868 -1.145 . . . . 0.0 110.693 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.92 -92.78 0.04 OUTLIER 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.689 173.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.95 104.96 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.188 0.994 . . . . 0.0 111.104 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.2 150.36 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.407 1.099 . . . . 0.0 111.279 -173.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 -41.27 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.663 1.22 . . . . 0.0 112.318 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.01 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 -64.61 175.18 1.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.769 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.546 ' HE3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' HA3' ' NE2' ' A' ' 117' ' ' GLN . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.809 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.917 HG22 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.71 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.635 HG22 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.71 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.917 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.809 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.625 ' HG ' HD23 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.564 HD11 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -63.09 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.697 ' HA ' ' HG3' ' A' ' 84' ' ' LYS . 3.4 t 59.31 36.67 23.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.902 0.858 . . . . 0.0 110.919 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.29 47.92 0.25 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.155 0.979 . . . . 0.0 110.924 174.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.491 ' CG ' ' HB2' ' A' ' 83' ' ' LYS . 11.6 m-85 -153.82 -174.61 5.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.85 0.833 . . . . 0.0 110.881 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -112.14 -22.67 10.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.304 0.573 . . . . 0.0 111.534 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -47.27 2.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 80' ' ' TYR . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.697 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.974 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 1.021 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' C ' ' HB1' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.589 ' OD1' HD22 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.021 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.049 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' CA ' HG23 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.95 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.896 ' O ' HG23 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.534 ' HA ' HG23 ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.944 ' HB3' HD11 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.52 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.964 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m -35.06 -59.85 0.49 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.21 67.59 0.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.978 0.894 . . . . 0.0 110.901 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.94 138.47 41.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.938 0.875 . . . . 0.0 111.015 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 p -145.11 -56.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.98 0.895 . . . . 0.0 110.892 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.166 0 CA-C-O 121.947 0.88 . . . . 0.0 110.98 176.912 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.272 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.78 134.49 42.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.865 0.84 . . . . 0.0 110.994 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.33 91.08 0.58 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.15 -33.52 6.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.601 0.715 . . . . 0.0 111.108 174.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.48 -42.99 3.8 Favored Glycine 0 N--CA 1.462 0.426 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 145.95 43.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 -174.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.93 130.84 10.42 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -138.28 176.01 9.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 124.13 1.919 . . . . 0.0 111.463 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -143.55 -123.53 1.76 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.521 2.01 . . . . 0.0 108.41 174.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.605 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -147.57 157.37 43.53 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 171.163 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.789 ' NH2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -50.03 154.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 2.3 pt-20 -3.36 114.81 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.942 2.097 . . . . 0.0 114.853 173.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.485 ' CH2' ' HE3' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -85.37 120.29 26.67 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 121.636 -0.665 . . . . 0.0 110.525 172.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.64 96.47 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.066 0.936 . . . . 0.0 112.114 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p 48.43 -99.11 0.05 Allowed 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.562 0.745 . . . . 0.0 111.721 172.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.94 152.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.208 -0.932 . . . . 0.0 110.934 -173.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 p -116.58 95.62 5.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.753 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.98 116.63 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.418 1.104 . . . . 0.0 110.23 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -55.11 127.86 31.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.208 1.004 . . . . 0.0 111.215 -173.096 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 179.12 125.54 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.018 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' ALA . 1.1 p 94.48 -58.73 0.01 OUTLIER 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.808 1.243 . . . . 0.0 110.871 173.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -125.26 86.95 2.62 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.088 -1.008 . . . . 0.0 110.84 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.04 74.64 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.911 0.862 . . . . 0.0 111.002 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -143.01 158.08 43.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.937 0.875 . . . . 0.0 110.979 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.005 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 -64.26 175.28 1.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG12 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.592 ' HE2' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.561 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.906 ' CB ' HG21 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.997 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.722 ' CE1' HG23 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.806 ' HB3' HG21 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.82 ' CB ' HG12 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.886 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.569 ' CB ' HD23 ' A' ' 59' ' ' LEU . 3.3 m-80 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.806 HG21 ' HB3' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.886 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.901 ' HB3' HD22 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.997 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.901 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . 50.3 -139.8 0.86 Allowed 'General case' 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.54 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.089 0.947 . . . . 0.0 111.129 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.78 31.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.47 0.652 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' C ' HG22 ' A' ' 81' ' ' THR . 5.0 m-85 -67.3 -92.73 0.01 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.773 -0.58 . . . . 0.0 110.655 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER 165.34 -69.2 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.309 -0.869 . . . . 0.0 110.96 -173.217 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 81' ' ' THR . 9.5 ptmt -91.15 -31.53 16.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 177.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.964 HD12 HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.868 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.906 HG21 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.775 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.877 HD22 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.877 ' ND2' HD22 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.686 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.868 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.857 ' O ' HG12 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.923 ' HB3' HD11 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 87' ' ' LEU . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -58.23 -170.64 0.01 OUTLIER 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -64.05 1.12 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.614 1.197 . . . . 0.0 110.621 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.25 -175.82 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.921 0.867 . . . . 0.0 110.912 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.9 p -78.98 -28.82 43.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.776 0.798 . . . . 0.0 111.072 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.923 0.868 . . . . 0.0 110.914 173.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.246 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.58 58.58 0.39 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.911 0.862 . . . . 0.0 111.01 -175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.87 146.07 9.29 Favored Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.1 102.8 2.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.845 . . . . 0.0 111.026 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.93 53.01 0.69 Allowed Glycine 0 C--N 1.32 -0.307 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.21 64.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.757 0.789 . . . . 0.0 111.115 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . -121.15 163.98 14.48 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.554 ' HG2' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -147.22 42.87 1.11 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.639 1.209 . . . . 0.0 111.205 -175.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 179.92 -179.7 48.81 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-O 122.452 1.029 . . . . 0.0 110.818 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 -87.82 142.6 27.68 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.401 -0.9 . . . . 0.0 110.411 -173.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.792 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.792 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 -154.08 33.64 0.43 Allowed 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -179.55 159.09 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.352 -0.842 . . . . 0.0 111.679 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.818 ' CZ3' HD11 ' A' ' 98' ' ' LEU . 1.4 m0 176.46 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.615 0.722 . . . . 0.0 110.75 172.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.61 -170.91 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.079 0.942 . . . . 0.0 111.078 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -108.05 117.62 34.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.929 0.871 . . . . 0.0 110.994 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -140.25 -52.31 0.5 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.881 0.848 . . . . 0.0 110.956 -176.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.988 HG23 ' HG2' ' A' ' 25' ' ' LYS . 2.5 t -159.07 145.77 16.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.944 0.878 . . . . 0.0 110.956 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.988 ' HG2' HG23 ' A' ' 24' ' ' THR . 5.8 mmmt 60.62 -157.48 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.697 0.76 . . . . 0.0 110.923 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 -53.97 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.782 0.801 . . . . 0.0 110.869 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.18 132.47 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.888 0.851 . . . . 0.0 111.014 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -127.82 -59.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.949 0.88 . . . . 0.0 111.028 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.06 -175.74 4.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.856 0.836 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -51.24 124.65 12.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.796 0.808 . . . . 0.0 111.175 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.2 m -111.19 -17.75 13.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.367 0.603 . . . . 0.0 112.624 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 6.2 m0 -71.55 175.39 5.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.713 ' CE ' HG21 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.901 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.819 ' O ' HG11 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.901 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CE1' HG23 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.032 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.671 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.671 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.032 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.624 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD2' HD23 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.558 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB3' HG12 ' A' ' 86' ' ' VAL . . . -64.5 99.89 0.33 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.73 32.58 4.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.841 0.829 . . . . 0.0 111.099 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -165.71 82.06 0.32 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.83 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.399 0.619 . . . . 0.0 111.425 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' HG2' ' A' ' 82' ' ' LYS . 0.7 OUTLIER 69.17 129.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.594 . . . . 0.0 110.673 -173.304 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 81' ' ' THR . 15.7 mmmt 81.17 -68.08 0.1 Allowed 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.922 1.289 . . . . 0.0 109.706 -172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.697 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.819 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.612 ' HG3' HD22 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.968 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.033 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.611 ' HB1' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.611 ' CG ' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.503 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.705 ' HB3' HD11 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.881 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.576 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 t -33.56 -46.3 0.19 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -155.09 149.29 25.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.84 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 t -53.83 158.18 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.4 p -112.87 -177.52 3.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.653 1.216 . . . . 0.0 110.507 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.148 0 CA-C-O 122.062 0.934 . . . . 0.0 111.21 -174.164 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.291 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.02 145.89 47.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.918 0.866 . . . . 0.0 110.956 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.37 -138.07 13.65 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -126.06 124.67 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.826 0.822 . . . . 0.0 111.028 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.69 -141.76 7.17 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.19 -148.26 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.992 -0.711 . . . . 0.0 110.827 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 153.46 27.18 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-O 122.044 0.802 . . . . 0.0 111.423 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.79 141.97 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.062 -0.669 . . . . 0.0 110.549 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -61.03 -160.52 0.1 OUTLIER Glycine 0 CA--C 1.517 0.19 0 CA-C-O 123.617 1.676 . . . . 0.0 112.69 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -127.45 160.49 31.32 Favored 'General case' 0 C--O 1.244 0.786 0 O-C-N 121.645 -0.915 . . . . 0.0 110.108 171.467 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.823 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -144.42 47.29 1.39 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.516 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 3.4 tm-20 -179.04 154.87 0.71 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.544 1.164 . . . . 0.0 112.898 -171.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.591 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER 165.85 124.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.537 1.135 . . . . 0.0 110.481 171.358 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.46 178.02 4.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.145 0.974 . . . . 0.0 111.438 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -36.33 7.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.837 . . . . 0.0 111.09 174.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' THR . 1.0 OUTLIER -66.94 -34.4 77.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.98 0.895 . . . . 0.0 110.754 173.376 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER 65.03 163.69 0.15 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.112 0.958 . . . . 0.0 111.075 175.31 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 173.92 152.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.686 0.755 . . . . 0.0 110.948 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.89 33.05 10.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.907 0.861 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.74 112.28 15.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.764 0.792 . . . . 0.0 110.944 -173.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 t -125.03 -81.65 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.858 0.837 . . . . 0.0 110.974 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -178.68 52.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.841 0.829 . . . . 0.0 111.062 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.58 66.57 0.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.553 0.692 . . . . 0.0 111.344 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -36.34 9.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.858 1.313 . . . . 0.0 110.667 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.604 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 25.8 m95 -72.48 108.78 5.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.704 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.811 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.77 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.776 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.873 ' O ' HD12 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.929 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.929 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.875 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.875 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB2' HD13 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 ' CD2' HD23 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -56.53 136.09 54.37 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -121.16 -49.44 2.18 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 121.652 -0.655 . . . . 0.0 112.186 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -103.18 -14.29 16.43 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.268 -0.895 . . . . 0.0 112.77 -172.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.416 ' CB ' ' HB2' ' A' ' 83' ' ' LYS . 6.5 m-30 -67.2 162.55 22.28 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.893 -1.13 . . . . 0.0 111.056 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -73.91 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.711 0.767 . . . . 0.0 111.178 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -24.69 67.13 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.597 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.993 HD11 HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.781 ' CG ' HD22 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.757 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.586 HD21 HD22 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.766 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.921 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.625 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.407 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.851 ' O ' HG23 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.525 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.933 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.674 ' HA ' HD13 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.776 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m -19.71 -59.54 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.32 163.31 40.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.835 0.826 . . . . 0.0 111.044 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.0 t -152.17 80.2 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.826 0.822 . . . . 0.0 111.061 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 p -158.48 -50.78 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.995 0.902 . . . . 0.0 110.984 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.96 0.886 . . . . 0.0 111.135 -177.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.261 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -35.69 21.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.914 0.864 . . . . 0.0 111.004 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -125.41 2.71 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -110.75 -154.13 0.53 Allowed 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.175 -0.603 . . . . 0.0 110.625 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.38 72.8 0.68 Allowed Glycine 0 N--CA 1.465 0.615 0 O-C-N 121.19 -0.944 . . . . 0.0 111.139 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.56 106.02 13.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.905 0.86 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.896 ' HA2' ' HB1' ' A' ' 116' ' ' ALA . . . 60.54 70.53 0.98 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.96 156.05 43.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 111.003 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' A' ' 40' ' ' LYS . . . -96.96 -132.26 7.31 Favored Glycine 0 C--O 1.26 1.747 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.99 178.59 9.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.537 1.669 . . . . 0.0 111.822 177.278 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' NH1' HG21 ' A' ' 35' ' ' VAL . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.912 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' ND1' ' HG3' ' A' ' 16' ' ' ARG . 1.5 m80 -92.11 37.51 0.98 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 28.4 tt0 -177.55 145.38 0.42 Allowed 'General case' 0 C--O 1.245 0.868 0 C-N-CA 123.169 0.588 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.31 56.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.318 1.533 . . . . 0.0 111.096 176.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.24 88.24 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.041 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -117.85 -38.97 3.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.579 0.704 . . . . 0.0 111.198 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 72.3 164.92 0.29 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.057 0.932 . . . . 0.0 111.067 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.36 169.55 0.23 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.959 0.885 . . . . 0.0 110.984 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -108.0 73.19 0.88 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.912 0.863 . . . . 0.0 110.981 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -142.7 32.74 1.43 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.37 1.081 . . . . 0.0 110.861 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.48 104.58 3.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.951 0.882 . . . . 0.0 110.982 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -86.41 122.39 30.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.869 0.842 . . . . 0.0 110.969 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.79 119.98 1.19 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.94 0.876 . . . . 0.0 111.076 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -77.6 -64.72 1.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.772 . . . . 0.0 111.081 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 -146.18 0.13 Allowed 'General case' 0 C--O 1.25 1.127 0 O-C-N 121.92 -0.487 . . . . 0.0 110.583 -174.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.102 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 9.5 m0 -60.95 149.51 36.31 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.122 . . . . 0.0 110.52 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' NH1' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.774 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.651 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.867 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.867 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.523 ' HG3' ' H ' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.058 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.637 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.058 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.919 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.003 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -57.49 144.75 35.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -124.22 -52.73 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.977 0.894 . . . . 0.0 111.05 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.92 57.46 1.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.573 1.178 . . . . 0.0 110.502 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 8.1 p90 -90.52 138.06 31.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 123.186 1.469 . . . . 0.0 112.3 -172.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 81' ' ' THR . 0.5 OUTLIER -115.87 90.84 3.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.878 1.799 . . . . 0.0 108.061 171.114 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt 55.58 26.18 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 80' ' ' TYR . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.914 ' CB ' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.896 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.693 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.003 HD23 ' HB2' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.833 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' HG13 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.102 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CD ' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.645 ' HB3' HD12 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.914 HG23 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.476 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.679 ' CA ' HD11 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.896 ' HB1' ' HA2' ' A' ' 7' ' ' GLY . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' NE2' ' HE3' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.678 ' N ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -55.45 88.64 0.01 OUTLIER 'General case' 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.73 125.45 41.2 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 121.937 2.153 . . . . 0.0 111.574 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.36 166.96 31.0 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.741 0.782 . . . . 0.0 110.874 173.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.7 p -142.38 -162.11 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.702 0.763 . . . . 0.0 110.756 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.037 0.923 . . . . 0.0 110.968 179.163 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.254 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.92 88.5 2.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.01 0.909 . . . . 0.0 111.021 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.7 96.72 0.1 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.96 -35.87 4.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.922 0.868 . . . . 0.0 110.934 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.23 131.05 10.46 Favored Glycine 0 C--N 1.32 -0.307 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.49 119.0 3.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.985 0.898 . . . . 0.0 110.994 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -109.35 0.13 Allowed Glycine 0 C--N 1.32 -0.312 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.49 -134.0 0.12 Allowed 'General case' 0 C--O 1.249 1.051 0 O-C-N 122.036 -0.685 . . . . 0.0 110.509 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' HA3' ' CB ' ' A' ' 40' ' ' LYS . . . -98.74 -133.24 7.97 Favored Glycine 0 C--O 1.269 2.336 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -160.36 155.47 24.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.108 2.454 . . . . 0.0 112.414 -173.194 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.708 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HB3' HD13 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -59.67 179.04 0.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.911 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -36.01 140.4 0.12 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.42 1.105 . . . . 0.0 112.632 175.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.914 ' CZ3' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -101.66 156.88 17.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.896 0.855 . . . . 0.0 111.092 174.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -162.25 66.48 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.138 0.971 . . . . 0.0 110.996 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -82.16 -28.87 31.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.491 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.678 ' CG2' HG23 ' A' ' 24' ' ' THR . 1.0 OUTLIER -54.42 101.49 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -174.007 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.678 HG23 ' CG2' ' A' ' 23' ' ' THR . 0.1 OUTLIER 68.49 156.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.939 0.876 . . . . 0.0 110.999 176.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.13 153.1 0.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.935 0.874 . . . . 0.0 110.986 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -104.35 84.57 2.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.938 0.875 . . . . 0.0 110.986 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 139.98 58.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.001 0.905 . . . . 0.0 110.965 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -99.18 45.19 1.0 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.007 0.908 . . . . 0.0 110.995 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 179.98 91.27 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.725 0.774 . . . . 0.0 111.112 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -159.56 -174.93 4.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.433 1.111 . . . . 0.0 111.496 -173.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.526 ' HA ' ' CH2' ' A' ' 20' ' ' TRP . 0.1 OUTLIER 75.81 -169.88 0.09 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.895 1.331 . . . . 0.0 111.119 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.831 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 -82.35 157.07 23.91 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.136 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.568 ' HE2' HG23 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.79 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.681 ' HB2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.989 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.801 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.801 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' HE1' ' HB2' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.94 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.94 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.87 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.52 ' HA ' HG22 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.639 ' HB2' HD21 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.802 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.05 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 89' ' ' VAL . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.932 ' CG1' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' ALA . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -63.87 162.22 14.07 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.14 -82.49 0.39 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.926 0.869 . . . . 0.0 111.636 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.29 70.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.018 0.913 . . . . 0.0 111.38 -172.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 10.7 m-85 -120.0 162.82 18.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.479 1.133 . . . . 0.0 111.19 173.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -107.86 33.96 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.322 1.534 . . . . 0.0 109.981 172.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt 153.08 128.27 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 126.357 1.863 . . . . 0.0 109.26 -171.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' HG12 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.954 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.65 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.05 HD23 ' HB2' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.911 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.931 ' HB2' HG12 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.695 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.811 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -46.9 126.49 8.85 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 167.76 10.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 120.346 1.43 . . . . 0.0 111.106 -173.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 81.07 163.14 0.16 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.775 1.274 . . . . 0.0 111.351 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.3 p -52.11 107.73 0.23 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.105 0.955 . . . . 0.0 111.412 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.982 0.896 . . . . 0.0 110.971 173.179 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.267 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.18 -58.79 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.979 0.895 . . . . 0.0 111.003 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.46 34.97 55.49 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 m -81.41 -61.24 2.0 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.967 0.889 . . . . 0.0 110.994 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.3 -123.9 6.68 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.83 -160.54 0.11 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.822 0.82 . . . . 0.0 110.93 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -66.12 0.06 OUTLIER Glycine 0 C--O 1.238 0.392 0 CA-C-O 121.7 0.611 . . . . 0.0 111.582 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -135.18 -177.39 4.62 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.901 . . . . 0.0 111.348 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.667 ' HA3' ' CD ' ' A' ' 40' ' ' LYS . . . -64.73 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -130.12 161.42 31.11 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.756 -0.849 . . . . 0.0 110.047 172.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' HE3' ' A' ' 37' ' ' MET . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.144 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.652 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 178.11 161.54 0.59 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 8.1 pt-20 -35.22 151.82 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.664 1.186 . . . . 0.0 112.549 172.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.15 154.05 44.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.767 0.794 . . . . 0.0 111.253 -174.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.19 171.68 8.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.173 0.987 . . . . 0.0 111.063 174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.0 -42.02 3.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.931 0.872 . . . . 0.0 111.032 -174.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' THR . 63.6 p -83.07 106.58 15.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.91 0.862 . . . . 0.0 111.015 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -179.89 147.11 0.26 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 111.015 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -58.97 -56.09 26.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.714 0.768 . . . . 0.0 110.467 174.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER 160.32 99.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 124.88 1.272 . . . . 0.0 110.264 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.28 -159.87 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.99 0.9 . . . . 0.0 111.143 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.42 91.77 0.09 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.904 0.859 . . . . 0.0 110.966 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 65.79 -172.17 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.801 0.81 . . . . 0.0 110.934 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -123.01 82.59 2.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.882 0.849 . . . . 0.0 111.009 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m 55.99 -149.44 0.46 Allowed 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.808 -0.558 . . . . 0.0 110.671 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CH2' HG21 ' A' ' 86' ' ' VAL . 9.0 m0 -70.6 165.02 23.67 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.181 -0.949 . . . . 0.0 110.618 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.588 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.006 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.8 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.021 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.006 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.712 ' O ' HG21 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.881 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.602 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.881 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.584 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.927 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.719 ' HB3' HD13 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.936 HD21 HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.478 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 114' ' ' LEU . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' HG22 ' A' ' 76' ' ' ILE . . . -63.53 153.87 34.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -126.97 -42.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.927 0.87 . . . . 0.0 111.168 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.64 59.48 0.87 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.823 1.297 . . . . 0.0 110.499 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CD2' ' CB ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -78.32 -74.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.636 -172.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 81' ' ' THR . 1.1 m 61.27 80.05 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.441 1.115 . . . . 0.0 109.926 -172.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 81' ' ' THR . 0.0 OUTLIER 89.91 -30.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 126.362 1.865 . . . . 0.0 110.719 -172.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.86 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.048 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.984 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.936 HD11 HD21 ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.654 HD21 HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 19' ' ' GLU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.067 HD13 HD21 ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.929 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.144 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.048 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.474 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.552 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.871 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.871 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 1.021 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 2.2 m -25.28 -55.26 0.05 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.74 111.2 22.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.84 152.06 28.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.682 0.753 . . . . 0.0 110.995 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -126.58 -104.1 0.34 Allowed 'General case' 0 C--O 1.252 1.187 0 O-C-N 121.732 -0.605 . . . . 0.0 110.657 -175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.171 0 O-C-N 120.779 -1.201 . . . . 0.0 110.842 -176.131 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.297 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -160.15 161.38 33.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.867 0.842 . . . . 0.0 111.076 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.76 -47.92 0.87 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.35 -71.21 0.76 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.562 ' HA3' ' OE2' ' A' ' 8' ' ' GLU . . . 113.18 77.59 0.81 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -79.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.906 0.86 . . . . 0.0 110.994 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 101.53 2.3 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -173.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.562 ' OE2' ' HA3' ' A' ' 5' ' ' GLY . 1.3 mm-40 -120.42 105.38 10.82 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.994 -0.71 . . . . 0.0 111.155 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 0.38 -103.82 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.39 0 C-N-CA 124.981 1.277 . . . . 0.0 115.109 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.619 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -157.95 -177.05 6.28 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 173.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.806 HG23 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.66 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -173.7 30.11 0.01 OUTLIER 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -178.63 140.91 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.337 -0.852 . . . . 0.0 111.389 -173.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 1.131 ' CZ3' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -177.16 80.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.559 0.695 . . . . 0.0 111.287 175.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -103.03 66.9 0.93 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.789 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 90.67 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.883 0.849 . . . . 0.0 110.903 -173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -82.43 136.75 34.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.009 0.909 . . . . 0.0 110.991 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.42 -169.13 2.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.8 0.809 . . . . 0.0 110.962 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.642 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 31.7 pttt -137.59 103.6 5.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.484 1.135 . . . . 0.0 110.919 173.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -174.19 -54.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.972 0.891 . . . . 0.0 110.97 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.93 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.895 0.855 . . . . 0.0 111.021 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -68.63 155.43 40.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.074 0.94 . . . . 0.0 110.929 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.31 75.14 0.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.037 0.922 . . . . 0.0 111.024 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -57.09 170.39 0.46 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.984 0.897 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -162.04 0.35 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.6 0.714 . . . . 0.0 110.837 -176.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 5.2 m0 -74.53 145.46 43.45 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.779 -0.575 . . . . 0.0 110.46 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.049 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.012 HD12 ' HB1' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.738 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.868 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.989 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.779 HD13 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.48 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.989 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' HD21 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.973 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.028 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -57.12 173.76 0.21 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -164.59 -46.67 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.605 -0.684 . . . . 0.0 111.623 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -93.45 -28.02 16.36 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.637 -0.664 . . . . 0.0 111.912 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -67.61 -172.76 0.27 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.234 1.016 . . . . 0.0 111.489 -173.148 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.98 -44.67 1.04 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.003 0.906 . . . . 0.0 110.966 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -53.48 4.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.808 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.659 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.813 HG11 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.028 HD23 ' CB ' ' A' ' 72' ' ' ALA . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.131 HD12 ' CZ3' ' A' ' 20' ' ' TRP . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.814 ' HB3' HD11 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.012 HD11 HD11 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.924 ' HA ' HD12 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB3' ' N ' ' A' ' 42' ' ' GLY . 53.6 mm-40 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 1.049 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.5 -33.5 1.13 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.09 156.36 18.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.31 1.052 . . . . 0.0 111.078 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -98.39 151.58 20.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.95 0.881 . . . . 0.0 111.071 174.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 p -159.79 139.93 11.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.944 0.878 . . . . 0.0 111.043 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.223 0 CA-C-O 121.938 0.875 . . . . 0.0 111.022 174.278 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.278 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.12 179.84 0.2 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.892 0.853 . . . . 0.0 111.009 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.78 1.27 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -62.64 -75.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.99 0.9 . . . . 0.0 110.943 176.461 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' THR . . . -173.3 75.4 0.09 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.41 -48.41 34.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.999 0.904 . . . . 0.0 110.844 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.06 48.76 5.9 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -139.3 -165.36 1.84 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.84 -0.8 . . . . 0.0 111.759 -173.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.647 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -59.36 -154.1 0.01 OUTLIER Glycine 0 CA--C 1.522 0.478 0 CA-C-O 124.314 2.064 . . . . 0.0 113.449 173.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -132.2 157.14 45.1 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 113.713 -1.244 . . . . 0.0 109.894 172.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.025 HG11 ' HB2' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.973 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -140.52 173.93 11.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.887 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 1.7 tm-20 -30.7 101.46 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.38 1.086 . . . . 0.0 112.555 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -77.56 146.31 36.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.132 178.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -160.4 1.04 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.007 0.908 . . . . 0.0 111.187 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.03 156.78 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.964 0.888 . . . . 0.0 110.915 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.9 m -72.7 154.38 40.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.97 0.89 . . . . 0.0 110.95 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.15 125.77 28.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.827 0.822 . . . . 0.0 111.016 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.61 88.77 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.899 0.857 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 34.0 mttt -56.44 99.68 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.042 -173.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -177.42 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.781 0.801 . . . . 0.0 111.127 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.09 153.36 1.94 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.745 0.783 . . . . 0.0 110.912 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.25 165.51 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.235 1.017 . . . . 0.0 111.446 -173.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 64.03 -111.92 0.32 Allowed 'General case' 0 C--O 1.253 1.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 85.36 -19.94 0.3 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 120.383 1.447 . . . . 0.0 112.627 172.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.778 ' CH2' HG21 ' A' ' 86' ' ' VAL . 30.6 m95 -63.22 139.05 58.73 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.482 -0.762 . . . . 0.0 109.726 172.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.414 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.647 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.736 ' O ' HG21 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.713 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.739 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.736 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.713 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.729 ' OE2' HD23 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.639 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.57 124.65 7.3 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.5 46.85 0.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.163 0.983 . . . . 0.0 110.862 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -179.58 83.3 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.849 0.833 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.788 ' CZ ' ' HG3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -142.84 164.59 29.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.142 1.449 . . . . 0.0 111.91 -173.054 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -106.27 -51.2 3.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 123.784 1.754 . . . . 0.0 109.417 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -148.79 25.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.356 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.788 ' HG3' ' CZ ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.822 ' C ' HD23 ' A' ' 87' ' ' LEU . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.912 ' NH1' HD23 ' A' ' 96' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.6 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.658 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.887 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD23 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.977 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 0.3 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.025 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.824 ' HG3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.951 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HB ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.791 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -49.17 154.86 0.74 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -135.53 111.7 9.67 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.295 -1.503 . . . . 0.0 110.567 171.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.421 ' C ' HG23 ' A' ' 121' ' ' THR . 22.6 t -114.51 138.45 50.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.098 0.951 . . . . 0.0 111.713 -173.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 120' ' ' SER . 0.4 OUTLIER 66.03 142.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.779 1.276 . . . . 0.0 110.945 -177.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.104 0 CA-C-O 121.982 0.896 . . . . 0.0 111.053 -173.445 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.86 74.25 0.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.006 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.57 70.16 0.9 Allowed Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -114.57 113.65 24.68 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.761 0.791 . . . . 0.0 110.93 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.85 86.16 1.39 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.0 -50.56 6.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.96 0.886 . . . . 0.0 110.979 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.06 -97.44 1.26 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.95 -137.33 0.35 Allowed 'General case' 0 C--O 1.25 1.115 0 O-C-N 122.119 -0.636 . . . . 0.0 110.678 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -54.16 -166.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-O 124.693 2.274 . . . . 0.0 115.338 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -108.3 154.71 21.41 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 121.302 -1.117 . . . . 0.0 109.86 -172.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.719 HH12 HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.857 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 25.4 p80 -59.84 157.15 12.82 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.811 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -9.8 113.12 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 126.981 2.112 . . . . 0.0 114.211 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.857 ' CZ3' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -82.85 85.55 7.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.638 0.732 . . . . 0.0 111.058 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -169.72 158.26 7.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.806 0.813 . . . . 0.0 111.186 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.46 146.43 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.755 1.264 . . . . 0.0 111.527 173.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.31 56.82 7.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.149 0.976 . . . . 0.0 110.95 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.415 ' C ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -163.53 127.07 2.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.738 0.78 . . . . 0.0 110.949 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HG2' ' C ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -134.3 33.63 3.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.559 0.695 . . . . 0.0 111.349 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 54.48 59.07 4.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.084 0.945 . . . . 0.0 110.978 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.41 -70.6 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.895 0.855 . . . . 0.0 110.994 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -118.49 114.3 22.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.812 0.815 . . . . 0.0 110.982 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -60.38 97.41 0.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.849 0.833 . . . . 0.0 111.0 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -90.41 -38.04 13.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.73 0.776 . . . . 0.0 111.477 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 78.13 -152.0 0.02 OUTLIER 'General case' 0 C--O 1.247 0.964 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.739 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CH2' HG21 ' A' ' 86' ' ' VAL . 11.4 m0 -61.86 154.99 24.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.014 -1.053 . . . . 0.0 110.726 -175.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.934 HG21 ' HE3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.934 ' HE3' HG21 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.082 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.847 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.861 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.082 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.592 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG21 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.849 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.724 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.849 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.915 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.915 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CG ' HD21 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.944 HD12 HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.65 HD11 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . 50.07 -159.47 0.07 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 177.7 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.316 1.055 . . . . 0.0 111.158 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -133.34 71.51 1.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.776 1.274 . . . . 0.0 110.59 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 1.118 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 34.7 p90 -94.92 165.03 12.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.949 1.833 . . . . 0.0 113.11 -172.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -146.48 80.24 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.56 26.44 1.94 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 -169.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 1.118 ' HG2' ' CE2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.869 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.636 ' HG3' HD22 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.768 ' CE2' HD13 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.891 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.683 ' HE3' HD21 ' A' ' 114' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.619 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.847 HD22 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.553 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.861 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -49.49 158.36 0.43 Allowed 'General case' 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -51.31 19.96 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.187 -1.571 . . . . 0.0 111.443 -173.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 t 64.74 129.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.197 1.475 . . . . 0.0 111.298 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 51.2 p -126.18 41.37 3.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.202 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 121' ' ' THR . . . . . . . . 0 C--O 1.269 2.13 0 CA-C-O 122.096 0.95 . . . . 0.0 110.95 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.26 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.34 164.66 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.913 0.863 . . . . 0.0 110.981 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.52 2.34 Favored Glycine 0 C--N 1.321 -0.276 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.855 ' CG2' ' HA2' ' A' ' 7' ' ' GLY . 24.6 m -153.23 101.78 2.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.902 0.858 . . . . 0.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.9 -65.98 1.33 Allowed Glycine 0 C--N 1.321 -0.299 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.59 -38.54 39.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.885 0.85 . . . . 0.0 111.071 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.855 ' HA2' ' CG2' ' A' ' 4' ' ' THR . . . 90.01 -156.22 25.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 121.939 0.744 . . . . 0.0 111.322 175.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.41 -164.15 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.057 -0.673 . . . . 0.0 110.939 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 2.44 -133.39 0.0 OUTLIER Glycine 0 C--O 1.243 0.672 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 -171.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -141.14 178.86 7.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.761 -1.435 . . . . 0.0 111.1 -177.191 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG22 ' SD ' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.483 HG22 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.879 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 -105.37 43.86 1.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 6.4 pt-20 179.92 146.42 0.23 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.029 0.919 . . . . 0.0 112.029 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.879 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -174.9 58.45 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.494 1.14 . . . . 0.0 110.554 172.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -128.3 141.07 51.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.947 0.88 . . . . 0.0 110.975 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.38 -162.68 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.963 0.887 . . . . 0.0 111.027 173.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -78.47 120.74 23.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.805 0.812 . . . . 0.0 111.057 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 p -86.12 130.56 34.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.853 0.835 . . . . 0.0 111.002 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 5.0 ptpt -97.85 -164.28 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.783 0.802 . . . . 0.0 111.04 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 73.28 138.9 0.06 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.924 0.869 . . . . 0.0 110.932 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.48 41.97 1.41 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.945 0.878 . . . . 0.0 110.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -114.23 125.68 54.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.765 0.793 . . . . 0.0 111.001 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.82 -169.06 0.06 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.491 0.663 . . . . 0.0 110.806 -178.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -148.07 -55.54 0.21 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.93 0.871 . . . . 0.0 111.222 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -150.54 0.38 Allowed 'General case' 0 C--O 1.246 0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.752 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 -61.63 133.36 55.54 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.174 -0.954 . . . . 0.0 110.321 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.653 ' SD ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.537 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.706 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG21 ' CE2' ' A' ' 46' ' ' PHE . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.938 ' HB3' HG21 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.006 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CD1' HG22 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.651 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.938 HG21 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.006 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.773 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.617 ' HA ' HG22 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.725 ' O ' HD22 ' A' ' 69' ' ' LEU . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.776 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB1' ' HD1' ' A' ' 80' ' ' TYR . . . 55.29 -161.46 0.16 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.36 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.562 1.172 . . . . 0.0 110.924 -173.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -127.78 70.54 1.34 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.183 0.992 . . . . 0.0 110.122 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' O ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -74.08 -79.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.855 -172.293 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER 74.59 70.35 0.1 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.282 2.467 . . . . 0.0 109.749 -172.404 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 71.58 8.28 6.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.428 -172.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HB2' ' CA ' ' A' ' 80' ' ' TYR . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 1.044 ' HG2' HD22 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.846 HG11 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.776 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.688 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.514 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.593 ' CB ' HD11 ' A' ' 87' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.869 ' HA ' HD12 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.574 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 1.2 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.862 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -41.74 -76.34 0.03 OUTLIER 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 108.85 19.98 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.201 -0.937 . . . . 0.0 111.683 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.08 -161.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.863 0.84 . . . . 0.0 111.316 173.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 20.4 p -147.83 178.12 8.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.417 1.103 . . . . 0.0 110.43 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 121' ' ' THR . . . . . . . . 0 C--O 1.273 2.319 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.303 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.257 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -105.79 -27.36 11.31 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.963 -0.727 . . . . 0.0 111.156 -173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.88 102.37 0.17 Allowed Glycine 0 N--CA 1.461 0.332 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -132.92 75.82 1.65 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.888 0.851 . . . . 0.0 111.004 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.22 89.13 Favored Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.12 169.63 13.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.924 0.868 . . . . 0.0 110.967 -176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.16 46.81 Favored Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -166.79 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.489 1.137 . . . . 0.0 110.531 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -63.54 -104.78 0.01 OUTLIER Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 174.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.43 166.73 28.74 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 174.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG21 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.827 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -170.27 173.74 5.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 10.3 pm0 -8.73 94.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.652 1.981 . . . . 0.0 113.979 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.492 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.75 78.46 2.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.591 1.186 . . . . 0.0 110.756 173.176 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 104.76 2.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.869 0.843 . . . . 0.0 110.934 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -166.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.84 0.828 . . . . 0.0 110.974 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.5 m 50.37 80.93 0.07 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.173 0.987 . . . . 0.0 111.029 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' NH1' ' A' ' 30' ' ' ARG . 47.5 p -150.05 -39.67 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.552 0.691 . . . . 0.0 111.146 -173.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt 66.39 104.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.758 1.266 . . . . 0.0 111.004 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 pttt 49.17 29.01 2.38 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.372 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.78 78.52 0.29 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.937 0.875 . . . . 0.0 110.939 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 p -83.95 -165.64 1.19 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.931 0.872 . . . . 0.0 111.023 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.27 156.74 44.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.931 0.872 . . . . 0.0 110.984 177.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -170.03 -47.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.731 0.777 . . . . 0.0 111.086 177.253 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 58.26 -165.29 0.17 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.805 ' CH2' HG21 ' A' ' 86' ' ' VAL . 8.8 m95 -68.63 156.32 38.36 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.431 -0.793 . . . . 0.0 110.381 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.899 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.551 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG3' ' A' ' 40' ' ' LYS . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.616 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HA ' HG21 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.864 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.864 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.949 HG22 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.803 ' HB3' HG21 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.899 ' HA ' HG12 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.668 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.668 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.949 ' HA ' HG22 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.747 ' CD1' HD12 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.73 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 58.81 49.77 9.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.026 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -164.34 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.957 0.884 . . . . 0.0 111.177 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -84.96 158.99 20.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.97 0.89 . . . . 0.0 111.29 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -105.22 127.47 52.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.81 0.814 . . . . 0.0 111.0 176.418 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 85.35 -36.03 0.05 OUTLIER 'General case' 0 C--O 1.247 0.939 0 C-N-CA 125.539 1.535 . . . . 0.0 110.398 -172.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.805 HG21 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.031 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.93 ' HG2' HD22 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.812 ' O ' HD23 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.862 ' HB3' HD22 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.055 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 1.031 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.867 ' HB3' HD11 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.851 ' CA ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.688 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.44 -37.93 2.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -146.65 166.54 26.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.848 0.833 . . . . 0.0 111.212 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 121' ' ' THR . 1.3 p -143.95 160.47 40.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.763 0.792 . . . . 0.0 111.129 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 120' ' ' SER . 4.1 p -162.36 147.34 12.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.997 0.903 . . . . 0.0 111.104 -174.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.007 0.908 . . . . 0.0 111.031 173.466 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.267 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -136.25 148.38 48.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.856 0.836 . . . . 0.0 111.05 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.06 42.67 1.89 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.0 m -94.92 138.35 32.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.758 0.789 . . . . 0.0 110.977 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.43 -121.54 2.48 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-O 121.975 0.764 . . . . 0.0 111.34 -173.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.35 -86.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.69 0.757 . . . . 0.0 111.092 -173.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 -131.24 1.64 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.259 0.922 . . . . 0.0 111.77 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -152.58 0.51 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.872 -0.781 . . . . 0.0 110.78 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -60.2 -140.89 0.01 OUTLIER Glycine 0 C--O 1.237 0.305 0 CA-C-O 122.605 1.114 . . . . 0.0 113.454 173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER -142.07 160.24 40.61 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.343 -1.092 . . . . 0.0 110.875 -172.471 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.907 ' NE ' HD22 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -175.68 34.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.809 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -179.67 150.14 0.4 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.811 0.815 . . . . 0.0 111.036 -173.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 174.17 144.74 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.812 0.815 . . . . 0.0 111.141 -177.384 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -158.4 0.75 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.2 0.524 . . . . 0.0 110.881 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.91 34.54 0.48 Allowed 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.507 -0.746 . . . . 0.0 111.647 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.74 -87.83 0.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.952 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.2 m -159.56 84.93 0.77 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.79 0.805 . . . . 0.0 110.958 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.15 98.17 7.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.949 0.88 . . . . 0.0 110.953 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -160.7 84.49 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.826 0.822 . . . . 0.0 111.036 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 31.71 0.33 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.709 0.766 . . . . 0.0 111.026 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.79 -168.87 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.922 0.868 . . . . 0.0 111.14 -174.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -138.49 82.73 1.92 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.829 0.823 . . . . 0.0 110.935 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -170.05 115.56 0.52 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.948 0.88 . . . . 0.0 111.029 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -156.0 -107.45 0.03 OUTLIER 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.352 -173.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.715 ' HB3' HG22 ' A' ' 15' ' ' THR . 35.3 m95 -60.08 116.33 4.1 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.134 -0.979 . . . . 0.0 110.771 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.772 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.772 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.651 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.458 ' HE3' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.785 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.785 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.084 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.612 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.915 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HG3' HD23 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.879 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.769 ' HB3' HD12 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD13 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 50.36 -152.52 0.17 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -152.95 -81.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.946 0.879 . . . . 0.0 110.843 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.11 33.39 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.828 0.823 . . . . 0.0 111.217 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.711 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -80.75 179.35 7.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.862 0.839 . . . . 0.0 111.101 -176.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -47.51 2.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.663 0.744 . . . . 0.0 111.379 -174.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 -41.13 4.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 173.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.845 ' C ' HD23 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.845 HD23 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 1.041 ' CG ' HD22 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.781 ' HD2' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CE2' HD13 ' A' ' 69' ' ' LEU . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.041 HD22 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.992 HD11 HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HD12 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.615 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.992 HD21 HD11 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.968 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.949 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.3 t -25.47 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.8 93.97 3.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.917 0.865 . . . . 0.0 110.942 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 132.47 15.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.021 0.915 . . . . 0.0 111.024 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 p -72.68 -5.56 38.41 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.838 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.994 -1.066 . . . . 0.0 111.339 175.577 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.277 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -92.48 108.25 19.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.07 -33.06 2.5 Favored Glycine 0 C--O 1.236 0.281 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -98.72 51.37 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.247 1.022 . . . . 0.0 110.943 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.26 -39.16 0.31 Allowed Glycine 0 C--O 1.239 0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.459 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.13 -44.99 32.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.724 0.773 . . . . 0.0 111.503 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.39 -178.6 30.84 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -138.26 -120.93 0.13 Allowed 'General case' 0 C--O 1.254 1.335 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.2 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.649 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -51.45 -87.35 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 172.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -164.92 168.1 17.94 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.742 -1.229 . . . . 0.0 111.315 173.279 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.769 HG22 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.769 ' NE ' HG22 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -101.44 64.21 1.0 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.78 -140.19 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.848 -173.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.654 ' CE3' ' HG3' ' A' ' 17' ' ' LYS . 11.6 m-90 71.98 112.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.17 1.388 . . . . 0.0 111.24 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 79.91 151.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.321 1.057 . . . . 0.0 111.325 173.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.2 127.27 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.902 0.858 . . . . 0.0 111.005 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p 51.49 -157.55 0.12 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 69.63 -163.98 0.17 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.741 0.781 . . . . 0.0 110.809 174.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' H ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -136.3 174.66 10.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.07 0.938 . . . . 0.0 111.117 178.287 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 90.9 7.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.854 0.835 . . . . 0.0 111.041 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.58 165.01 11.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.982 0.896 . . . . 0.0 110.974 -174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -76.89 -27.86 55.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.441 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -56.09 101.99 0.07 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.382 -0.823 . . . . 0.0 111.217 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -112.2 33.91 4.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.89 0.853 . . . . 0.0 111.016 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -146.83 162.52 38.44 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.863 0.84 . . . . 0.0 110.939 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.784 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 16.0 m0 -72.34 143.65 48.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 -174.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.941 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.941 ' HB3' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 118' ' ' SER . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.001 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.588 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 1.001 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.986 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.561 ' H ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.914 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.914 HG22 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.986 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.619 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.619 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' HB3' HD21 ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD22 HD21 ' A' ' 91' ' ' LEU . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.4 m120 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.027 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.81 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.14 139.11 42.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -98.82 -29.8 12.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.391 0.615 . . . . 0.0 111.677 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -114.1 65.8 0.67 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.778 1.275 . . . . 0.0 110.0 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 81' ' ' THR . 24.0 p90 -92.19 -45.18 8.38 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.512 ' N ' ' CD1' ' A' ' 80' ' ' TYR . 2.1 m 62.21 -85.34 0.02 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.135 -0.978 . . . . 0.0 109.76 -171.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' HG22 ' A' ' 81' ' ' THR . 1.2 mtpp -116.74 38.58 3.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 171.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.518 ' O ' HG12 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' LYS . 14.6 m80 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.98 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.81 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.027 HD23 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD23 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.98 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.48 ' N ' HG23 ' A' ' 86' ' ' VAL . 7.5 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.819 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.816 ' HB3' HD11 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.491 ' NE2' ' N ' ' A' ' 9' ' ' GLY . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.691 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.1 t -30.73 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.09 167.38 10.22 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.001 0.905 . . . . 0.0 111.226 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -115.27 -32.34 5.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.567 0.699 . . . . 0.0 111.36 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.2 p -67.2 103.32 1.2 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.233 1.016 . . . . 0.0 111.03 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.162 0 CA-C-O 122.054 0.93 . . . . 0.0 110.99 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.308 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.53 -88.44 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.867 0.841 . . . . 0.0 110.982 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.61 1.54 Allowed Glycine 0 C--N 1.32 -0.341 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.56 97.53 5.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.779 0.799 . . . . 0.0 110.911 -173.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.88 129.12 1.18 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.46 -165.81 1.44 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.914 0.864 . . . . 0.0 111.09 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.46 104.57 1.48 Allowed Glycine 0 C--O 1.238 0.399 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -150.14 69.42 1.01 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.701 -0.882 . . . . 0.0 110.743 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -65.94 -131.35 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 CA-C-O 122.44 1.022 . . . . 0.0 113.583 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -142.12 162.03 36.51 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.7 -0.882 . . . . 0.0 110.334 173.231 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.966 ' HG2' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.005 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -27.01 107.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 124.535 1.134 . . . . 0.0 112.924 173.246 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.966 ' CZ2' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.15 -32.63 21.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.927 0.87 . . . . 0.0 111.043 -178.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.86 -14.63 0.53 Allowed 'General case' 0 C--O 1.248 0.984 0 C-N-CA 123.875 0.87 . . . . 0.0 111.961 173.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 86.26 -80.54 0.02 OUTLIER 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.08 -1.012 . . . . 0.0 110.577 173.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -79.45 129.66 34.68 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.063 -1.023 . . . . 0.0 111.076 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.51 166.15 34.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 111.026 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -84.37 161.94 20.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.918 0.866 . . . . 0.0 111.063 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 64.97 -158.42 0.29 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.487 0.66 . . . . 0.0 110.778 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.16 60.17 0.65 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.976 0.893 . . . . 0.0 111.08 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.61 133.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.013 0.911 . . . . 0.0 110.978 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -106.84 121.63 44.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.854 0.835 . . . . 0.0 111.03 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mtt85 61.35 -105.37 0.2 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.667 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -160.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.724 -1.235 . . . . 0.0 111.326 -173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 6.2 m0 -63.67 174.76 1.27 Allowed 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 175.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.438 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.948 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.679 ' C ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.948 HD12 ' HB1' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.621 ' CE2' HG21 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.81 ' HA ' HG12 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.892 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.892 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.755 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.755 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.495 ' HA ' HG22 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' A' ' 69' ' ' LEU . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.697 HD11 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 1.011 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . . . -61.85 167.99 3.38 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -51.33 1.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 111.48 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.73 63.04 0.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.605 1.193 . . . . 0.0 110.294 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 1.134 ' CE1' ' HG3' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -69.39 -58.36 4.1 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -172.322 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER 54.03 40.0 31.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 124.013 1.863 . . . . 0.0 107.193 -169.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 81' ' ' THR . 8.1 ttmt 101.07 128.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 128.235 2.614 . . . . 0.0 107.797 -168.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 1.134 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.637 HG23 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.99 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG23 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.681 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.566 ' ND2' HD22 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.005 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD13 ' CZ3' ' A' ' 20' ' ' TRP . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.77 ' O ' HG12 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.915 ' HB3' HD11 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.99 ' CD1' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.525 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -34.03 93.57 0.01 OUTLIER 'General case' 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -133.35 174.56 10.27 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 121.368 1.895 . . . . 0.0 112.085 -170.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 121' ' ' THR . 16.2 p -100.14 -114.54 0.17 Allowed 'General case' 0 C--O 1.254 1.335 0 O-C-N 121.833 -0.542 . . . . 0.0 110.626 173.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 120' ' ' SER . 1.0 OUTLIER -165.19 142.21 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.468 -1.395 . . . . 0.0 111.271 -178.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.194 0 CA-C-O 122.094 0.949 . . . . 0.0 110.97 178.327 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.56 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.101 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.807 ' CZ ' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.01 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.01 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 . . . . . 0 CA--C 1.511 -0.531 0 CA-C-O 121.881 0.848 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.546 ' HE3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.809 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.917 HG22 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.71 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.635 HG22 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.71 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.917 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.809 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.625 ' HG ' HD23 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.564 HD11 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD2' ' CH2' ' A' ' 32' ' ' TRP . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.974 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 1.021 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' C ' ' HB1' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.589 ' OD1' HD22 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.837 ' HB3' HD13 ' A' ' 91' ' ' LEU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.021 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.049 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' CA ' HG23 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.95 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.896 ' O ' HG23 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.534 ' HA ' HG23 ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.944 ' HB3' HD11 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.52 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.964 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.605 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.242 0.664 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.789 ' NH2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.005 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 . . . . . 0 C--O 1.24 0.585 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG12 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.592 ' HE2' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.906 ' CB ' HG21 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.997 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.722 ' CE1' HG23 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.806 ' HB3' HG21 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.82 ' CB ' HG12 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.886 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.569 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.0 m120 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.806 HG21 ' HB3' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.886 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.901 ' HB3' HD22 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.997 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.901 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt . . . . . 0 CA--C 1.512 -0.49 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.964 HD12 HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.868 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.906 HG21 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.775 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.877 HD22 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.877 ' ND2' HD22 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.686 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.868 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.857 ' O ' HG12 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.923 ' HB3' HD11 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 87' ' ' LEU . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 120.706 0.289 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.792 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.792 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 . . . . . 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 6.2 m0 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.713 ' CE ' HG21 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.901 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.819 ' O ' HG11 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.901 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CE1' HG23 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.032 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.671 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.671 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.032 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.624 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD2' HD23 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.558 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB3' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt . . . . . 0 C--O 1.24 0.554 0 CA-C-O 121.776 0.798 . . . . 0.0 109.706 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.819 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.612 ' HG3' HD22 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.504 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.968 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.033 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.611 ' HB1' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.611 ' CG ' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.503 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.705 ' HB3' HD11 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.881 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.576 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 t . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.786 0 CA-C-O 121.003 0.43 . . . . 0.0 110.108 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB3' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 . . . . . 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.604 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 25.8 m95 . . . . . 0 C--O 1.242 0.709 0 CA-C-O 121.022 0.439 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.811 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.77 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.776 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.873 ' O ' HD12 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.929 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.929 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.875 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.875 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB2' HD13 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.729 ' CD2' HD23 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.597 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.993 HD11 HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.781 ' CG ' HD22 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.757 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.586 HD21 HD22 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.444 ' C ' HD13 ' A' ' 96' ' ' LEU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.921 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.625 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.407 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.851 ' O ' HG23 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.525 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.933 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.674 ' HA ' HD13 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.776 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.573 0 CA-C-O 122.928 1.347 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.774 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.533 ' NH1' HG21 ' A' ' 35' ' ' VAL . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.912 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' ND1' ' HG3' ' A' ' 16' ' ' ARG . 1.5 m80 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.102 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 9.5 m0 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 121.47 0.653 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' NH1' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.774 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.651 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.84 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.867 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.867 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.523 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.058 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.637 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.058 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.919 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.481 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.003 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' HG12 ' A' ' 86' ' ' VAL . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.914 ' CB ' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.896 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.693 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.003 HD23 ' HB2' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.833 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' HG13 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.102 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 15.1 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CD ' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.645 ' HB3' HD12 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.914 HG23 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.679 ' CA ' HD11 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.448 ' NE2' ' HE3' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.678 ' N ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 123.246 1.498 . . . . 0.0 112.414 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.708 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HB3' HD13 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.831 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 . . . . . 0 C--O 1.248 0.997 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.568 ' HE2' HG23 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.79 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.681 ' HB2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.989 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.801 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.801 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' HE1' ' HB2' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.94 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.94 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.87 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.52 ' HA ' HG22 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.639 ' HB2' HD21 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.802 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.05 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 89' ' ' VAL . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.932 ' CG1' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' ALA . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' HG12 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.6 m-70 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.954 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.65 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.05 HD23 ' HB2' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.931 ' HB2' HG12 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.695 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.448 ' HB3' ' C ' ' A' ' 41' ' ' ALA . 5.7 mm-40 -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.811 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.627 0 CA-C-O 121.474 0.654 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' HE3' ' A' ' 37' ' ' MET . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.144 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.652 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CH2' HG21 ' A' ' 86' ' ' VAL . 9.0 m0 . . . . . 0 C--O 1.24 0.589 0 CA-C-O 121.47 0.653 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.588 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.006 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.8 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.021 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.006 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.712 ' O ' HG21 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.881 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.602 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.881 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.584 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.927 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.719 ' HB3' HD13 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.936 HD21 HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.478 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 114' ' ' LEU . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' HG22 ' A' ' 76' ' ' ILE . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.604 0 CA-C-O 121.328 0.585 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.86 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.048 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.984 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.936 HD11 HD21 ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.654 HD21 HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB3' HD12 ' A' ' 91' ' ' LEU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.067 HD13 HD21 ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.929 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.144 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.048 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.474 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.552 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.871 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.871 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 1.021 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 2.2 m . . . . . 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.619 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.806 HG23 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 . . . . . 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 5.2 m0 . . . . . 0 C--O 1.242 0.702 0 CA-C-O 121.152 0.501 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.473 ' HG3' ' NE2' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.049 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.012 HD12 ' HB1' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.738 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.868 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.989 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.779 HD13 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.48 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.989 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' HD21 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.973 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.028 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.46 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 86' ' ' VAL . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.659 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.813 HG11 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.028 HD23 ' CB ' ' A' ' 72' ' ' ALA . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.965 ' C ' HD23 ' A' ' 99' ' ' LEU . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.814 ' HB3' HD11 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.012 HD11 HD11 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.924 ' HA ' HD12 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.473 ' NE2' ' HG3' ' A' ' 40' ' ' LYS . 17.6 mm100 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 1.049 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.751 0 CA-C-O 121.196 0.522 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.025 HG11 ' HB2' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.973 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.505 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.778 ' CH2' HG21 ' A' ' 86' ' ' VAL . 30.6 m95 . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.414 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' H ' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.736 ' O ' HG21 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.713 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.739 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.736 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.713 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.729 ' OE2' HD23 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.639 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 122.108 0.956 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.822 ' C ' HD23 ' A' ' 87' ' ' LEU . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.912 ' NH1' HD23 ' A' ' 96' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.6 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.658 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.912 HD23 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.977 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.025 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.824 ' HG3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.951 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HB ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.791 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.256 1.414 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.719 HH12 HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.4 p80 . . . . . 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CH2' HG21 ' A' ' 86' ' ' VAL . 11.4 m0 . . . . . 0 CA--C 1.51 -0.595 0 CA-C-O 121.822 0.82 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.934 HG21 ' HE3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.934 ' HE3' HG21 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.082 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.847 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.861 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.082 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.592 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG21 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.849 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.724 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.849 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.915 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.915 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CG ' HD21 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.944 HD12 HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.65 HD11 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.351 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.869 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.636 ' HG3' HD22 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.489 HD22 HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.768 ' CE2' HD13 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.891 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.683 ' HE3' HD21 ' A' ' 114' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.619 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.847 HD22 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.553 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.861 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 122.971 1.367 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.653 HG22 ' SD ' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.483 HG22 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.769 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 . . . . . 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 121.089 0.471 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.653 ' SD ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.537 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.706 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG21 ' CE2' ' A' ' 46' ' ' PHE . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.938 ' HB3' HG21 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.006 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CD1' HG22 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.651 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.938 HG21 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.006 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.773 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.617 ' HA ' HG22 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.725 ' O ' HD22 ' A' ' 69' ' ' LEU . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.776 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' A' ' 88' ' ' ARG . . . . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt . . . . . 0 C--O 1.244 0.775 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' O ' HG12 ' A' ' 86' ' ' VAL . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 1.044 ' HG2' HD22 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.846 HG11 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.776 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.688 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.514 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.593 ' CB ' HD11 ' A' ' 87' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.869 ' HA ' HD12 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.574 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.5 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.862 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG21 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.827 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.805 ' CH2' HG21 ' A' ' 86' ' ' VAL . 8.8 m95 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 120.872 0.368 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.899 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.551 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG3' ' A' ' 40' ' ' LYS . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HA ' HG21 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.864 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.864 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.949 HG22 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.803 ' HB3' HG21 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.899 ' HA ' HG12 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.635 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.668 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.668 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.949 ' HA ' HG22 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.747 ' CD1' HD12 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.44 ' C ' ' ND2' ' A' ' 71' ' ' ASN . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 70' ' ' GLN . 10.8 m-80 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.805 HG21 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.031 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.93 ' HG2' HD22 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.465 HD21 HD23 ' A' ' 91' ' ' LEU . 6.1 p30 -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.812 ' O ' HD23 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.862 ' HB3' HD22 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.055 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 1.031 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.867 ' HB3' HD11 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.851 ' CA ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.44 ' HG ' ' CE1' ' A' ' 10' ' ' HIS . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.688 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 121.226 0.536 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.907 ' NE ' HD22 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 . . . . . 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.715 ' HB3' HG22 ' A' ' 15' ' ' THR . 35.3 m95 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.903 0.858 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.772 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.772 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.651 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.458 ' HE3' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.785 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.785 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.084 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.612 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.915 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HG3' HD23 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.879 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.769 ' HB3' HD12 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD13 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.457 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.845 ' C ' HD23 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.845 HD23 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 1.041 ' CG ' HD22 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.781 ' HD2' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.774 HD21 HD23 ' A' ' 91' ' ' LEU . 12.0 p30 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.731 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CE2' HD13 ' A' ' 69' ' ' LEU . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.041 HD22 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.992 HD11 HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HD12 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.615 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.992 HD21 HD11 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.968 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.949 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.3 t . . . . . 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.51 -0.582 0 CA-C-O 122.065 0.936 . . . . 0.0 111.315 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.769 HG22 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.769 ' NE ' HG22 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.784 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 16.0 m0 . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.941 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.941 ' HB3' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 118' ' ' SER . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.001 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.588 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 1.001 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.986 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.561 ' H ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.914 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.914 HG22 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.986 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.619 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.619 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.578 ' HB3' HD21 ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.783 HD22 HD21 ' A' ' 91' ' ' LEU . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.1 m-80 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 1.027 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.81 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 CA--C 1.514 -0.415 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.518 ' O ' HG12 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' LYS . 20.3 m-70 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.98 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.81 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.598 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.027 HD23 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.516 HD23 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.98 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.48 ' N ' HG23 ' A' ' 86' ' ' VAL . 29.0 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.819 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.816 ' HB3' HD11 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HG3' ' CB ' ' A' ' 40' ' ' LYS . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.691 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.1 t . . . . . 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.588 0 CA-C-O 121.308 0.575 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 6.2 m0 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.438 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.948 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.679 ' C ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.948 HD12 ' HB1' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.621 ' CE2' HG21 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.81 ' HA ' HG12 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.892 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.892 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.755 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.755 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.495 ' HA ' HG22 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' A' ' 69' ' ' LEU . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.697 HD11 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 8.1 ttmt . . . . . 0 CA--C 1.517 -0.323 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.7 m-70 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.637 HG23 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.99 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.715 HG23 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.566 ' ND2' HD22 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.77 ' O ' HG12 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.915 ' HB3' HD11 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.99 ' CD1' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.525 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.312 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.73 -51.83 1.58 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.842 0.83 . . . . 0.0 111.058 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.21 -161.0 16.96 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 m -84.36 151.42 24.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.065 0.936 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 -138.43 3.78 Favored Glycine 0 C--O 1.236 0.264 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.27 -80.97 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.835 0.826 . . . . 0.0 111.025 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.12 -135.82 7.52 Favored Glycine 0 C--N 1.32 -0.353 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.3 92.97 3.78 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.988 -0.713 . . . . 0.0 110.962 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 176.89 -163.39 32.26 Favored Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.678 1.155 . . . . 0.0 111.191 171.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.56 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.8 OUTLIER -104.29 147.43 27.5 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 114.424 -0.888 . . . . 0.0 109.429 171.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 125.78 18.92 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.104 -0.998 . . . . 0.0 112.294 -172.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -160.23 157.63 28.97 Favored Glycine 0 C--O 1.243 0.702 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 172.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' CD2' ' CZ ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -73.28 96.89 2.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.473 1.13 . . . . 0.0 110.5 172.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 101' ' ' ALA . 2.5 m -133.18 -175.67 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-O 122.118 0.961 . . . . 0.0 111.487 -172.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -109.78 85.85 2.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.552 0.691 . . . . 0.0 111.273 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.807 ' CZ ' HD22 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -104.48 162.81 12.92 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 121.335 -0.853 . . . . 0.0 110.942 -176.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.01 ' HG2' ' HA ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -125.99 89.69 3.07 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.21 0.528 . . . . 0.0 111.04 174.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -176.98 0.06 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.104 0.954 . . . . 0.0 111.245 -176.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.899 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 1.9 tm-20 -19.4 129.1 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 125.293 1.437 . . . . 0.0 113.449 172.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.429 ' CE2' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -128.09 153.75 46.48 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.088 0.947 . . . . 0.0 111.906 -171.121 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -165.08 36.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.911 0.862 . . . . 0.0 110.868 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 p -137.0 153.97 50.53 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.835 0.826 . . . . 0.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 23' ' ' THR . 3.8 t -139.56 37.65 2.03 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.713 0.768 . . . . 0.0 111.074 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.38 126.59 39.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.74 0.781 . . . . 0.0 110.98 173.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.54 -73.68 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.792 0.806 . . . . 0.0 111.238 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp 58.2 -98.21 0.08 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 -173.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.38 -59.77 2.62 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.868 -1.145 . . . . 0.0 110.693 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.92 -92.78 0.04 OUTLIER 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.689 173.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.95 104.96 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.188 0.994 . . . . 0.0 111.104 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.2 150.36 8.52 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.407 1.099 . . . . 0.0 111.279 -173.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.87 -41.27 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.663 1.22 . . . . 0.0 112.318 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.01 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 7.5 m0 -64.61 175.18 1.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.769 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.49 155.63 48.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.663 0.744 . . . . 0.0 111.066 177.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -116.51 98.71 6.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.862 0.839 . . . . 0.0 111.085 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' N ' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -135.79 -168.49 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.67 0 CA-C-O 121.182 0.515 . . . . 0.0 111.046 -174.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.662 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -97.6 89.12 4.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.182 1.468 . . . . 0.0 111.215 173.131 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.546 ' HE3' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.53 140.21 33.44 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.311 1.053 . . . . 0.0 110.954 -173.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.82 78.05 1.77 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.566 1.174 . . . . 0.0 110.495 174.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.896 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -154.59 170.08 22.32 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.858 -172.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -159.99 -75.9 0.07 Allowed 'General case' 0 C--N 1.321 -0.673 0 O-C-N 120.341 -1.475 . . . . 0.0 111.862 172.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.964 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -175.95 34.87 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.839 1.781 . . . . 0.0 110.252 -170.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -146.65 -42.94 0.04 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 107.884 -2.086 . . . . 0.0 107.884 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.809 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 15.7 mtt180 -159.02 148.38 18.76 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 114.067 -1.066 . . . . 0.0 109.896 167.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.917 HG22 ' HA ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -99.33 151.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.155 0.978 . . . . 0.0 111.283 173.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -153.25 126.92 8.79 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.507 173.034 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.659 ' CE1' HG23 ' A' ' 44' ' ' ILE . 17.8 m-30 -121.2 140.02 52.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.305 1.05 . . . . 0.0 113.752 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 21.4 p90 -159.52 133.0 7.15 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.654 170.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 10.5 tttt -70.1 -47.66 60.93 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 123.463 1.601 . . . . 0.0 110.231 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.05 -167.69 2.79 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.594 172.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -85.97 71.07 10.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.186 -0.946 . . . . 0.0 109.817 171.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.71 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.38 -90.74 0.48 Allowed 'General case' 0 C--O 1.255 1.353 0 C-N-CA 124.35 1.06 . . . . 0.0 111.4 -170.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -48.88 -35.97 18.84 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 105.977 -2.849 . . . . 0.0 105.977 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.2 OUTLIER -51.52 -51.77 52.49 Favored 'General case' 0 C--O 1.248 0.991 0 CA-C-N 113.63 -1.285 . . . . 0.0 110.712 170.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -42.9 -56.87 3.07 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 120.883 -1.136 . . . . 0.0 110.889 170.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -80.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.488 0.661 . . . . 0.0 110.987 -176.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -122.68 135.97 26.23 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-O 121.402 0.62 . . . . 0.0 110.925 -174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -68.12 6.94 0.71 Allowed 'Trans proline' 0 N--CA 1.533 3.796 1 C-N-CA 126.042 4.495 . . . . 0.0 115.867 -178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.41 -30.4 7.98 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 120.851 -1.156 . . . . 0.0 110.915 172.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' N ' ' HG2' ' A' ' 58' ' ' GLU . 15.6 mt -94.65 158.2 15.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.8 0.81 . . . . 0.0 111.193 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.635 HG22 ' CD1' ' A' ' 53' ' ' TYR . 16.8 p -151.03 -123.69 0.04 OUTLIER 'General case' 0 C--O 1.259 1.564 0 CA-C-O 118.716 -0.659 . . . . 0.0 110.418 173.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.71 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -90.18 13.56 14.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 121.059 1.754 . . . . 0.0 112.464 -172.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 79.48 -25.55 0.18 Allowed 'General case' 0 C--O 1.258 1.55 0 C-N-CA 125.062 1.345 . . . . 0.0 110.787 -171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -90.58 55.65 3.46 Favored Glycine 0 CA--C 1.548 2.127 0 N-CA-C 104.875 -3.29 . . . . 0.0 104.875 164.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.677 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 16.1 pt-20 -89.42 -21.25 0.26 Allowed Pre-proline 0 C--O 1.247 0.954 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -167.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -30.84 164.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.529 3.586 1 C-N-CA 130.178 7.252 . . . . 0.0 119.113 -172.606 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.917 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.3 p -161.95 158.86 25.84 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.274 -1.33 . . . . 0.0 110.907 -174.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 14.6 m-85 -146.68 177.4 9.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 0.0 110.982 -173.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.809 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 5.3 t0 -143.85 84.91 1.8 Allowed 'General case' 0 C--O 1.246 0.904 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.382 173.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.625 ' HG ' HD23 ' A' ' 91' ' ' LEU . 2.3 mm? -128.21 82.64 2.1 Favored 'General case' 0 C--O 1.251 1.144 0 N-CA-C 115.235 1.569 . . . . 0.0 115.235 -170.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -89.6 19.4 4.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 123.49 1.614 . . . . 0.0 110.325 165.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 69' ' ' LEU . 1.8 m-80 -102.27 -29.01 11.93 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 126.055 1.742 . . . . 0.0 111.992 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 91' ' ' LEU . . . -61.3 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.16 1.457 . . . . 0.0 111.955 -172.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.99 -157.76 0.81 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.661 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 115' ' ' LYS . 11.1 mt -141.53 149.38 20.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.583 0.706 . . . . 0.0 111.119 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -168.92 155.42 6.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.749 1.262 . . . . 0.0 111.678 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.564 HD11 ' CG2' ' A' ' 111' ' ' VAL . 1.9 mp -124.29 148.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.823 173.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -63.09 -81.67 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.796 0.808 . . . . 0.0 111.124 -173.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.697 ' HA ' ' HG3' ' A' ' 84' ' ' LYS . 3.4 t 59.31 36.67 23.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.902 0.858 . . . . 0.0 110.919 177.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.29 47.92 0.25 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.155 0.979 . . . . 0.0 110.924 174.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.491 ' CG ' ' HB2' ' A' ' 83' ' ' LYS . 11.6 m-85 -153.82 -174.61 5.02 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.85 0.833 . . . . 0.0 110.881 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.4 m -112.14 -22.67 10.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.304 0.573 . . . . 0.0 111.534 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -47.27 2.15 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.366 1.079 . . . . 0.0 110.893 175.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 80' ' ' TYR . 19.8 mmtt -71.7 -1.01 12.31 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.275 175.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.697 ' HG3' ' HA ' ' A' ' 78' ' ' SER . 33.1 ttpt -81.92 27.33 0.47 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -139.68 35.48 2.0 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.753 1.74 . . . . 0.0 109.011 169.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -121.57 157.89 25.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-N 114.461 -1.245 . . . . 0.0 111.178 -171.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.974 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -124.29 162.38 23.88 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.684 -0.635 . . . . 0.0 110.79 173.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 1.021 ' HG2' ' CD2' ' A' ' 98' ' ' LEU . 24.1 mtp180 -155.0 127.07 7.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.844 0.831 . . . . 0.0 112.002 -173.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -109.32 133.26 55.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.436 0.636 . . . . 0.0 110.316 172.019 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' C ' ' HB1' ' A' ' 72' ' ' ALA . 1.1 tttt -109.34 117.7 34.73 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.522 1.153 . . . . 0.0 111.365 -172.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -63.81 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.795 1.283 . . . . 0.0 110.535 174.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.27 30.47 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.555 170.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.589 ' OD1' HD22 ' A' ' 91' ' ' LEU . 34.7 p30 -128.8 28.3 5.38 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.81 -0.556 . . . . 0.0 111.376 175.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 84.82 -16.2 38.17 Favored Glycine 0 C--O 1.247 0.965 0 O-C-N 121.302 -0.874 . . . . 0.0 113.102 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -89.21 156.88 18.5 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.35 . . . . 0.0 111.746 -172.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mp -132.93 145.53 50.99 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.467 -0.771 . . . . 0.0 111.117 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CD2' HD11 ' A' ' 44' ' ' ILE . 9.6 m-85 -109.26 98.72 8.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.376 -0.827 . . . . 0.0 110.894 173.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.021 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 1.1 mt -86.41 154.4 21.2 Favored 'General case' 0 C--O 1.245 0.865 0 C-N-CA 122.896 0.478 . . . . 0.0 110.927 -178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.049 HD11 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.35 103.01 4.48 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 121.184 -0.948 . . . . 0.0 111.985 -173.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' CA ' HG23 ' A' ' 86' ' ' VAL . 17.2 tt0 -101.6 97.33 7.78 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.352 -0.843 . . . . 0.0 110.331 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.95 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -80.93 179.94 7.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.004 0.907 . . . . 0.0 111.55 -172.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -90.02 -57.33 2.89 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.328 -172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.53 -81.89 0.27 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 123.386 1.565 . . . . 0.0 112.214 -169.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 161.8 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 124.54 1.136 . . . . 0.0 110.33 -170.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -85.32 -27.52 25.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.596 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -85.9 -32.52 21.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.95 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -66.12 -43.07 88.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 124.448 2.07 . . . . 0.0 110.15 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.896 ' O ' HG23 ' A' ' 112' ' ' THR . 5.1 m -72.92 -32.13 65.1 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.814 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.534 ' HA ' HG23 ' A' ' 112' ' ' THR . 5.9 mm100 -71.65 -21.54 61.81 Favored 'General case' 0 C--O 1.249 1.068 0 O-C-N 121.552 -0.718 . . . . 0.0 111.476 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.944 ' HB3' HD11 ' A' ' 87' ' ' LEU . 47.1 m95 -68.31 -38.6 81.75 Favored 'General case' 0 C--N 1.318 -0.802 0 O-C-N 120.655 -1.278 . . . . 0.0 109.941 170.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -72.4 -36.23 54.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.353 174.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.896 HG23 ' O ' ' A' ' 108' ' ' SER . 8.5 p -60.06 -55.68 31.03 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 121.311 0.577 . . . . 0.0 110.176 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.52 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -54.16 -71.35 0.08 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.488 1.137 . . . . 0.0 108.971 174.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.049 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -44.31 -45.15 8.59 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 124.423 1.089 . . . . 0.0 112.919 -171.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 74' ' ' ILE . 33.1 tttt -64.73 -43.88 91.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.064 0.935 . . . . 0.0 110.708 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.71 -27.66 59.51 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.509 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -100.65 -57.25 2.14 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 120.88 -1.137 . . . . 0.0 114.037 -171.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.964 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m -35.06 -59.85 0.49 Allowed 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.69 1.596 . . . . 0.0 112.792 -171.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.21 67.59 0.68 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.978 0.894 . . . . 0.0 110.901 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.94 138.47 41.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.938 0.875 . . . . 0.0 111.015 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.0 p -145.11 -56.67 0.33 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.98 0.895 . . . . 0.0 110.892 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.166 0 CA-C-O 121.947 0.88 . . . . 0.0 110.98 176.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.272 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.78 134.49 42.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.865 0.84 . . . . 0.0 110.994 174.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.33 91.08 0.58 Allowed Glycine 0 C--N 1.319 -0.366 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -112.15 -33.52 6.21 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.601 0.715 . . . . 0.0 111.108 174.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.48 -42.99 3.8 Favored Glycine 0 N--CA 1.462 0.426 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 145.95 43.8 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.869 0.842 . . . . 0.0 110.932 -174.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.93 130.84 10.42 Favored Glycine 0 C--N 1.319 -0.368 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -138.28 176.01 9.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 124.13 1.919 . . . . 0.0 111.463 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -143.55 -123.53 1.76 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 126.521 2.01 . . . . 0.0 108.41 174.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.605 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.5 OUTLIER -147.57 157.37 43.53 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.8 1.286 . . . . 0.0 110.248 171.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pp20? -147.92 119.1 7.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.912 0.863 . . . . 0.0 111.438 -173.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.51 175.74 36.36 Favored Glycine 0 C--O 1.242 0.64 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.94 110.01 22.63 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.495 -1.003 . . . . 0.0 110.826 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 HH12 ' A' ' 16' ' ' ARG . 32.5 m -147.53 -173.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 122.048 0.928 . . . . 0.0 111.344 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -97.85 91.37 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.426 1.108 . . . . 0.0 111.302 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.789 ' NH2' HD13 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -79.67 -174.17 4.18 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.119 1.438 . . . . 0.0 111.133 179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -147.37 43.59 1.12 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 123.041 1.4 . . . . 0.0 109.714 172.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -50.03 154.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.938 -172.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 2.3 pt-20 -3.36 114.81 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 126.942 2.097 . . . . 0.0 114.853 173.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.485 ' CH2' ' HE3' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -85.37 120.29 26.67 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 121.636 -0.665 . . . . 0.0 110.525 172.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.64 96.47 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.066 0.936 . . . . 0.0 112.114 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 p 48.43 -99.11 0.05 Allowed 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.562 0.745 . . . . 0.0 111.721 172.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.94 152.42 0.05 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.208 -0.932 . . . . 0.0 110.934 -173.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.8 p -116.58 95.62 5.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.753 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.686 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 65.98 116.63 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.418 1.104 . . . . 0.0 110.23 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -55.11 127.86 31.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 122.208 1.004 . . . . 0.0 111.215 -173.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . 179.12 125.54 0.06 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.018 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' ALA . 1.1 p 94.48 -58.73 0.01 OUTLIER 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.808 1.243 . . . . 0.0 110.871 173.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -125.26 86.95 2.62 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.088 -1.008 . . . . 0.0 110.84 -175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.04 74.64 0.15 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.911 0.862 . . . . 0.0 111.002 -173.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -143.01 158.08 43.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.937 0.875 . . . . 0.0 110.979 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.005 ' CD2' ' HG3' ' A' ' 17' ' ' LYS . 9.6 m0 -64.26 175.28 1.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.796 0.808 . . . . 0.0 110.745 -174.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.86 160.07 40.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 122.224 1.012 . . . . 0.0 111.66 -173.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -117.93 138.1 52.38 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.464 173.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG12 ' CB ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -169.53 168.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 121.352 -0.842 . . . . 0.0 111.508 -173.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.506 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -93.31 93.36 8.16 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.822 1.296 . . . . 0.0 110.065 172.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.592 ' HE2' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -95.95 148.18 22.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.903 1.811 . . . . 0.0 112.743 -172.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -132.08 68.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.466 1.603 . . . . 0.0 108.312 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.69 175.51 9.53 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.026 -171.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.561 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.04 -164.57 0.37 Allowed 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 123.21 1.481 . . . . 0.0 111.498 -173.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.906 ' CB ' HG21 ' A' ' 89' ' ' VAL . . . -89.67 21.38 3.52 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.315 170.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.75 -42.0 0.14 Allowed Glycine 0 N--CA 1.463 0.468 0 O-C-N 120.587 -1.32 . . . . 0.0 110.588 -172.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.997 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 62.1 mtm180 -153.17 176.4 11.97 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 121.855 -0.791 . . . . 0.0 110.966 173.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.5 mp -131.69 147.55 32.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.663 1.22 . . . . 0.0 111.749 173.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -154.83 100.92 2.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.84 171.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.722 ' CE1' HG23 ' A' ' 44' ' ' ILE . 14.2 m-30 -98.13 143.85 28.22 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -171.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.806 ' HB3' HG21 ' A' ' 60' ' ' THR . 3.3 p90 -159.53 98.72 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.948 0.88 . . . . 0.0 110.738 172.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.82 ' CB ' HG12 ' A' ' 35' ' ' VAL . 18.2 ttmt -51.39 -31.89 24.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.823 1.297 . . . . 0.0 111.324 -175.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.45 -162.16 1.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.521 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.7 mt-30 -81.02 -1.33 43.54 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.49 -0.756 . . . . 0.0 112.142 173.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.886 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -50.51 -71.13 0.07 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -172.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.792 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -63.46 -43.27 98.45 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 108.681 -1.768 . . . . 0.0 108.681 176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CD1' HG22 ' A' ' 60' ' ' THR . 0.8 OUTLIER -45.5 -32.06 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.895 1.331 . . . . 0.0 111.3 172.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -69.88 -46.01 66.42 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 124.139 0.976 . . . . 0.0 110.719 178.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.9 t -88.23 -83.88 0.21 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.624 0.726 . . . . 0.0 111.468 175.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.569 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.0 m120 -118.65 138.27 25.72 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 121.898 0.856 . . . . 0.0 111.443 -173.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.84 -16.29 23.43 Favored 'Trans proline' 0 N--CA 1.529 3.591 1 C-N-CA 126.225 4.617 . . . . 0.0 115.645 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.846 ' O ' HD13 ' A' ' 59' ' ' LEU . 4.3 pt-20 -109.49 11.05 25.12 Favored 'General case' 0 C--O 1.25 1.104 0 O-C-N 120.971 -1.081 . . . . 0.0 111.659 173.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.846 HD13 ' O ' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -135.35 56.69 1.83 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 120.679 -1.263 . . . . 0.0 110.392 172.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.806 HG21 ' HB3' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -59.04 -84.9 0.01 OUTLIER 'General case' 0 C--O 1.244 0.764 0 O-C-N 121.552 -0.717 . . . . 0.0 110.942 -173.226 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.886 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -117.03 18.7 14.57 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.094 -1.003 . . . . 0.0 111.619 177.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 76.83 -22.13 0.29 Allowed 'General case' 0 C--O 1.265 1.885 0 C-N-CA 125.498 1.519 . . . . 0.0 112.466 -172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -94.18 43.58 2.38 Favored Glycine 0 CA--C 1.549 2.208 0 N-CA-C 104.06 -3.616 . . . . 0.0 104.06 167.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.676 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 2.7 pp20? -79.41 -28.52 0.55 Allowed Pre-proline 0 C--N 1.316 -0.849 0 N-CA-C 117.177 2.288 . . . . 0.0 117.177 -168.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -40.28 169.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.522 3.15 1 C-N-CA 130.382 7.388 . . . . 0.0 116.644 -173.688 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 44' ' ' ILE . 29.5 m -144.17 172.68 12.56 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.125 -1.398 . . . . 0.0 110.997 -172.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.901 ' HB3' HD22 ' A' ' 69' ' ' LEU . 20.3 m-85 -158.32 162.39 37.72 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.039 0.923 . . . . 0.0 110.677 -173.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.997 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 27.2 t0 -136.73 54.23 1.88 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.353 1.073 . . . . 0.0 110.372 -178.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.901 HD22 ' HB3' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -93.58 93.97 8.37 Favored 'General case' 0 C--O 1.248 1.005 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -172.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.84 11.04 21.41 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 123.835 1.779 . . . . 0.0 110.694 168.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -106.91 -27.12 10.9 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 126.411 1.884 . . . . 0.0 112.15 -174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -42.97 150.38 0.17 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.887 1.327 . . . . 0.0 112.156 -176.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.775 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -85.8 176.83 7.9 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.991 173.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 114' ' ' LEU . 0.5 OUTLIER -152.13 140.77 14.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 122.152 0.977 . . . . 0.0 111.394 -175.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 167.3 10.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.848 173.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.65 105.97 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 121.646 -0.659 . . . . 0.0 111.688 -173.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . 50.3 -139.8 0.86 Allowed 'General case' 0 C--O 1.246 0.902 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 172.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.54 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.089 0.947 . . . . 0.0 111.129 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.78 31.73 0.31 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.47 0.652 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' C ' HG22 ' A' ' 81' ' ' THR . 5.0 m-85 -67.3 -92.73 0.01 OUTLIER 'General case' 0 C--O 1.248 0.975 0 O-C-N 121.773 -0.58 . . . . 0.0 110.655 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.512 HG22 ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER 165.34 -69.2 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 O-C-N 121.309 -0.869 . . . . 0.0 110.96 -173.217 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' H ' HG23 ' A' ' 81' ' ' THR . 9.5 ptmt -91.15 -31.53 16.17 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.245 1.021 . . . . 0.0 110.854 177.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 14.3 mttm -80.51 1.84 27.8 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.412 0.685 . . . . 0.0 112.781 172.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 12.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.605 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 90.5 m-70 -119.59 33.25 5.7 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.901 1.334 . . . . 0.0 110.215 172.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -116.75 142.19 31.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.117 -173.008 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.964 HD12 HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -104.09 137.04 42.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.223 1.011 . . . . 0.0 111.122 174.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.868 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 82.7 mtt180 -121.51 118.23 28.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.826 0.822 . . . . 0.0 111.361 -173.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.906 HG21 ' CB ' ' A' ' 41' ' ' ALA . 9.6 p -119.13 118.88 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.939 0.876 . . . . 0.0 110.744 173.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.775 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -111.11 160.1 17.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.385 1.088 . . . . 0.0 111.994 -172.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.877 HD22 ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -106.79 -159.61 0.7 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.946 0.879 . . . . 0.0 110.464 173.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.98 30.99 5.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.523 0.678 . . . . 0.0 111.084 172.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.877 ' ND2' HD22 ' A' ' 91' ' ' LEU . 2.1 p30 -108.29 -32.51 7.44 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.979 0.895 . . . . 0.0 110.791 173.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 143.96 -19.95 2.15 Favored Glycine 0 C--O 1.247 0.937 0 O-C-N 121.876 -0.515 . . . . 0.0 112.511 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.686 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -85.43 153.08 22.74 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.024 -1.28 . . . . 0.0 111.286 -173.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 95' ' ' ALA . 5.9 mt -122.5 156.5 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.857 0.837 . . . . 0.0 111.607 173.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 91' ' ' LEU . 12.2 m-85 -130.43 85.47 2.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.96 0.886 . . . . 0.0 110.444 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.868 ' HG ' ' HG2' ' A' ' 88' ' ' ARG . 3.3 mp -91.37 134.06 34.92 Favored 'General case' 0 C--O 1.247 0.923 0 C-N-CA 123.284 0.634 . . . . 0.0 110.901 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -116.24 108.76 16.53 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 120.99 -1.069 . . . . 0.0 113.472 -171.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.82 86.24 2.57 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 170.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -78.96 -171.42 2.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.941 1.353 . . . . 0.0 112.248 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 5.5 t-160 -77.98 -85.65 0.07 Allowed 'General case' 0 C--O 1.244 0.807 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.064 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -90.69 -157.47 0.49 Allowed 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.174 -0.954 . . . . 0.0 111.242 -171.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.4 -21.17 21.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.6 m -70.12 -65.14 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -45.36 -42.74 10.34 Favored 'General case' 0 C--O 1.258 1.519 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.354 171.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.605 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 2.6 mtt -57.86 -67.39 0.34 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 124.14 1.924 . . . . 0.0 110.102 -171.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.857 ' O ' HG12 ' A' ' 111' ' ' VAL . 38.9 p -68.25 -14.95 63.37 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 114.693 -1.14 . . . . 0.0 111.711 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.86 -58.67 3.26 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 120.923 -1.111 . . . . 0.0 111.074 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.923 ' HB3' HD11 ' A' ' 87' ' ' LEU . 55.9 m95 -44.18 -34.69 1.93 Allowed 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.428 -0.795 . . . . 0.0 111.044 172.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.866 ' HA ' HD13 ' A' ' 87' ' ' LEU . 1.4 p -76.28 -48.29 28.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 O-C-N 121.703 -0.623 . . . . 0.0 111.363 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -37.88 66.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.257 1.027 . . . . 0.0 110.922 173.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -61.35 1.82 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.019 1.39 . . . . 0.0 109.769 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.005 HD11 HD11 ' A' ' 99' ' ' LEU . 3.9 mt -42.65 -38.63 2.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.455 173.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -57.39 -64.89 0.74 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.089 0.947 . . . . 0.0 111.055 177.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.43 -19.32 35.42 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.811 -0.556 . . . . 0.0 111.801 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.712 ' HB2' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -82.86 -52.03 7.09 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.016 -1.052 . . . . 0.0 111.392 -173.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.626 ' OG ' ' HB1' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -58.23 -170.64 0.01 OUTLIER 'General case' 0 C--O 1.244 0.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.427 172.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -64.05 1.12 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.614 1.197 . . . . 0.0 110.621 172.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.25 -175.82 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.921 0.867 . . . . 0.0 110.912 176.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 81.9 p -78.98 -28.82 43.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.776 0.798 . . . . 0.0 111.072 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.168 0 CA-C-O 121.923 0.868 . . . . 0.0 110.914 173.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.246 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.58 58.58 0.39 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.911 0.862 . . . . 0.0 111.01 -175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.87 146.07 9.29 Favored Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.1 102.8 2.34 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.845 . . . . 0.0 111.026 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.93 53.01 0.69 Allowed Glycine 0 C--N 1.32 -0.307 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.21 64.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.757 0.789 . . . . 0.0 111.115 -175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . -121.15 163.98 14.48 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.554 ' HG2' ' C ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -147.22 42.87 1.11 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.639 1.209 . . . . 0.0 111.205 -175.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 40' ' ' LYS . . . 179.92 -179.7 48.81 Favored Glycine 0 CA--C 1.523 0.587 0 CA-C-O 122.452 1.029 . . . . 0.0 110.818 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 7.8 t60 -87.82 142.6 27.68 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 114.401 -0.9 . . . . 0.0 110.411 -173.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.82 130.43 39.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.776 1.274 . . . . 0.0 111.796 -173.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.48 -169.3 20.39 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.28 120.53 33.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.273 1.035 . . . . 0.0 110.797 173.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 15' ' ' THR . 2.8 m -162.76 -160.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 122.323 1.059 . . . . 0.0 111.466 -173.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -98.71 112.29 24.4 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.572 172.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' NH2' ' HB3' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -138.65 144.2 39.58 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.831 -0.543 . . . . 0.0 110.997 -172.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.792 ' HG3' ' N ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.66 164.16 15.04 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.293 -0.88 . . . . 0.0 110.798 172.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.792 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.5 p-80 -154.08 33.64 0.43 Allowed 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.36 -0.838 . . . . 0.0 111.903 -173.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -179.55 159.09 0.87 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.352 -0.842 . . . . 0.0 111.679 -176.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.818 ' CZ3' HD11 ' A' ' 98' ' ' LEU . 1.4 m0 176.46 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.615 0.722 . . . . 0.0 110.75 172.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.61 -170.91 0.06 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.079 0.942 . . . . 0.0 111.078 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -108.05 117.62 34.62 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.929 0.871 . . . . 0.0 110.994 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -140.25 -52.31 0.5 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.881 0.848 . . . . 0.0 110.956 -176.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.988 HG23 ' HG2' ' A' ' 25' ' ' LYS . 2.5 t -159.07 145.77 16.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.944 0.878 . . . . 0.0 110.956 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.988 ' HG2' HG23 ' A' ' 24' ' ' THR . 5.8 mmmt 60.62 -157.48 0.34 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.697 0.76 . . . . 0.0 110.923 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.28 -53.97 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.782 0.801 . . . . 0.0 110.869 175.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.18 132.47 0.5 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.888 0.851 . . . . 0.0 111.014 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -127.82 -59.79 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.949 0.88 . . . . 0.0 111.028 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -138.06 -175.74 4.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.856 0.836 . . . . 0.0 110.916 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -51.24 124.65 12.18 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.796 0.808 . . . . 0.0 111.175 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.2 m -111.19 -17.75 13.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.367 0.603 . . . . 0.0 112.624 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 6.2 m0 -71.55 175.39 5.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.591 0.71 . . . . 0.0 110.82 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.05 146.29 21.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.083 0.944 . . . . 0.0 111.663 -176.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' HG13 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -76.87 137.33 39.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.898 173.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG21 ' CE ' ' A' ' 37' ' ' MET . 0.8 OUTLIER -164.63 166.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.848 1.309 . . . . 0.0 111.94 -173.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -105.76 88.2 2.77 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 123.1 1.429 . . . . 0.0 110.246 172.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.713 ' CE ' HG21 ' A' ' 35' ' ' VAL . 8.2 mmt -87.91 154.2 20.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 123.166 1.46 . . . . 0.0 112.114 -172.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.28 65.76 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 123.717 1.723 . . . . 0.0 109.795 173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.901 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -150.19 171.16 17.37 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.878 -172.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.819 ' O ' HG11 ' A' ' 89' ' ' VAL . 7.1 pttt -171.26 -38.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.752 -1.842 . . . . 0.0 110.36 168.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -171.32 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 122.212 1.006 . . . . 0.0 110.585 174.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.656 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -48.29 -44.46 27.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 108.354 -1.898 . . . . 0.0 108.354 -172.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 44' ' ' ILE . 58.5 mtp85 -160.46 -177.37 6.17 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.778 -1.211 . . . . 0.0 110.9 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.901 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 1.1 mp -137.42 139.82 42.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.597 0.713 . . . . 0.0 111.069 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.21 101.28 3.69 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.774 0.797 . . . . 0.0 110.081 172.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CE1' HG23 ' A' ' 44' ' ' ILE . 22.0 m-30 -91.81 143.05 26.91 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -171.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.1 p90 -159.2 146.08 16.96 Favored 'General case' 0 C--O 1.243 0.741 0 O-C-N 121.881 -0.512 . . . . 0.0 110.455 170.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -36.15 20.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.973 1.368 . . . . 0.0 110.676 173.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.11 -159.56 0.91 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.553 173.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -90.38 58.81 4.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.032 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -108.13 -63.98 1.26 Allowed 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.396 0.617 . . . . 0.0 110.816 -173.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.671 ' HA3' ' CA ' ' A' ' 60' ' ' THR . . . -59.7 -40.32 96.39 Favored Glycine 0 N--CA 1.475 1.27 0 N-CA-C 107.454 -2.258 . . . . 0.0 107.454 172.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -58.67 -45.64 88.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 114.04 -1.08 . . . . 0.0 110.916 173.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -39.81 -47.86 2.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.751 0.786 . . . . 0.0 111.732 172.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.9 m -93.33 -80.06 0.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.019 0.914 . . . . 0.0 111.025 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -104.68 109.2 62.61 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.831 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.02 -35.75 99.05 Favored 'Trans proline' 0 N--CA 1.53 3.644 1 C-N-CA 126.167 4.578 . . . . 0.0 114.462 -176.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.762 ' HG3' HD12 ' A' ' 59' ' ' LEU . 13.3 pt-20 -66.24 -36.99 84.46 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.973 175.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.762 HD12 ' HG3' ' A' ' 58' ' ' GLU . 4.9 mp -95.62 -176.21 3.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.921 0.867 . . . . 0.0 111.261 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.671 ' CA ' ' HA3' ' A' ' 52' ' ' GLY . 62.3 p -157.09 -135.14 0.04 OUTLIER 'General case' 0 C--O 1.256 1.437 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.447 -177.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.032 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -73.55 -142.51 0.02 OUTLIER 'General case' 0 C--O 1.267 2.016 0 CA-C-N 120.089 1.313 . . . . 0.0 109.545 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -101.7 -15.74 16.9 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 122.289 2.313 . . . . 0.0 112.702 174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -93.3 47.44 2.39 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 105.047 -3.221 . . . . 0.0 105.047 169.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.618 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 5.5 pt-20 -84.85 -23.09 0.31 Allowed Pre-proline 0 C--O 1.246 0.917 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 -168.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 12.5 Cg_exo -34.12 161.79 0.01 OUTLIER 'Trans proline' 0 N--CA 1.527 3.443 1 C-N-CA 128.697 6.265 . . . . 0.0 116.82 -175.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.751 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.9 m -136.51 161.54 35.57 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 120.911 -1.118 . . . . 0.0 111.094 176.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 69' ' ' LEU . 94.2 m-85 -150.14 161.6 42.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.836 0.826 . . . . 0.0 110.439 -176.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.624 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 1.4 t70 -129.73 99.55 5.18 Favored 'General case' 0 C--O 1.249 1.071 0 C-N-CA 123.691 0.797 . . . . 0.0 109.237 172.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.893 ' CD2' HD23 ' A' ' 91' ' ' LEU . 4.7 mt -139.74 71.15 1.37 Allowed 'General case' 0 C--O 1.256 1.398 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -170.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.558 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.66 13.82 8.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 124.4 2.048 . . . . 0.0 110.518 168.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.13 -38.94 11.32 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 126.22 1.808 . . . . 0.0 112.328 172.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.13 168.39 0.14 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 123.243 1.497 . . . . 0.0 111.522 -172.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.89 179.73 4.19 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.986 -178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 114' ' ' LEU . 11.8 mt -136.93 146.77 27.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 122.248 1.023 . . . . 0.0 111.206 175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.58 145.28 3.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.714 0.768 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 86' ' ' VAL . 8.4 mt -91.64 135.51 26.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.895 0.855 . . . . 0.0 111.029 177.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.895 ' HB3' HG12 ' A' ' 86' ' ' VAL . . . -64.5 99.89 0.33 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.94 0.876 . . . . 0.0 110.942 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.73 32.58 4.44 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.841 0.829 . . . . 0.0 111.099 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -165.71 82.06 0.32 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -164.83 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.399 0.619 . . . . 0.0 111.425 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' HG2' ' A' ' 82' ' ' LYS . 0.7 OUTLIER 69.17 129.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.75 -0.594 . . . . 0.0 110.673 -173.304 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HG2' ' C ' ' A' ' 81' ' ' THR . 15.7 mmmt 81.17 -68.08 0.1 Allowed 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.922 1.289 . . . . 0.0 109.706 -172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -73.78 2.05 9.17 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.428 -0.795 . . . . 0.0 112.021 171.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 15.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -121.97 44.52 2.57 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 123.433 1.587 . . . . 0.0 109.649 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 77' ' ' ALA . 4.7 p -125.31 156.99 34.6 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.555 -172.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -113.95 154.53 27.42 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.886 -0.509 . . . . 0.0 110.493 173.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.697 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -159.42 128.32 5.23 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -176.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.819 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -102.43 122.61 54.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 O-C-N 121.1 -1.0 . . . . 0.0 109.538 171.29 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.612 ' HG3' HD22 ' A' ' 96' ' ' LEU . 4.7 ttmt -108.0 122.94 47.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.695 0.759 . . . . 0.0 110.824 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.893 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -69.89 173.55 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 122.31 1.052 . . . . 0.0 110.483 173.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.34 23.17 12.65 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.706 0.765 . . . . 0.0 110.351 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.418 ' OD1' HD22 ' A' ' 91' ' ' LEU . 39.5 p30 -117.53 -7.09 11.14 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -177.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 160.07 -75.56 0.19 Allowed Glycine 0 C--O 1.241 0.575 0 O-C-N 121.105 -0.997 . . . . 0.0 114.106 172.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -89.07 -173.64 4.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.057 1.408 . . . . 0.0 112.118 -171.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -141.8 -175.32 4.35 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.759 1.266 . . . . 0.0 111.101 173.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -142.31 118.87 10.99 Favored 'General case' 0 C--O 1.25 1.119 0 C-N-CA 123.898 0.879 . . . . 0.0 110.556 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.968 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mp -106.77 157.28 17.85 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 120.351 1.432 . . . . 0.0 111.073 174.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.033 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -139.03 109.48 6.54 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 121.015 -1.053 . . . . 0.0 111.586 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.15 92.78 4.29 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.243 -0.911 . . . . 0.0 110.175 172.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.611 ' HB1' ' CG ' ' A' ' 106' ' ' GLU . . . -79.83 158.0 26.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.195 0.998 . . . . 0.0 111.486 -172.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.404 ' CG ' ' N ' ' A' ' 103' ' ' ASP . 1.9 t60 -56.95 -74.14 0.06 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-O 121.838 0.828 . . . . 0.0 111.05 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 102' ' ' HIS . 0.7 OUTLIER -91.17 158.62 16.52 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 121.923 -0.486 . . . . 0.0 110.956 -172.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.44 -17.94 64.28 Favored 'General case' 0 C--O 1.245 0.852 0 O-C-N 121.148 -0.97 . . . . 0.0 110.339 171.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 96.5 m -84.39 -38.68 19.96 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 122.742 1.258 . . . . 0.0 110.478 -173.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.611 ' CG ' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -79.1 -21.56 46.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 173.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.503 ' HG3' ' HB3' ' A' ' 101' ' ' ALA . 2.0 ttp -65.39 -44.11 88.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 124.127 1.918 . . . . 0.0 109.123 -173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -33.45 45.58 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.083 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 1.4 mm100 -58.05 -35.99 72.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 122.421 1.105 . . . . 0.0 111.22 173.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.705 ' HB3' HD11 ' A' ' 87' ' ' LEU . 16.5 m95 -63.72 -54.28 37.98 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.721 0.772 . . . . 0.0 111.199 173.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.881 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -58.9 -41.44 82.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.929 0.871 . . . . 0.0 111.106 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 p -61.17 -53.71 53.56 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.501 0.667 . . . . 0.0 110.925 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.511 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.4 OUTLIER -51.63 -55.42 19.47 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.609 0.719 . . . . 0.0 110.146 173.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 99' ' ' LEU . 5.8 mt -47.44 -39.19 15.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.342 0.591 . . . . 0.0 111.788 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 30.6 ttpt -71.66 -37.74 70.74 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.949 0.88 . . . . 0.0 110.984 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' SER . . . -47.94 -37.8 15.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.546 0.688 . . . . 0.0 111.423 174.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.754 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -102.36 -61.17 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 121.771 -0.581 . . . . 0.0 111.656 -173.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.576 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 10.9 t -33.56 -46.3 0.19 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.786 1.279 . . . . 0.0 111.388 -172.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -155.09 149.29 25.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.84 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.3 t -53.83 158.18 2.1 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.628 0.728 . . . . 0.0 111.089 -173.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 70.4 p -112.87 -177.52 3.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.653 1.216 . . . . 0.0 110.507 -173.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.148 0 CA-C-O 122.062 0.934 . . . . 0.0 111.21 -174.164 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.291 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.02 145.89 47.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.918 0.866 . . . . 0.0 110.956 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.37 -138.07 13.65 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -126.06 124.67 41.15 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.826 0.822 . . . . 0.0 111.028 174.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.69 -141.76 7.17 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.19 -148.26 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 121.992 -0.711 . . . . 0.0 110.827 175.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 153.46 27.18 Favored Glycine 0 N--CA 1.462 0.416 0 CA-C-O 122.044 0.802 . . . . 0.0 111.423 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.79 141.97 48.14 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 122.062 -0.669 . . . . 0.0 110.549 173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -61.03 -160.52 0.1 OUTLIER Glycine 0 CA--C 1.517 0.19 0 CA-C-O 123.617 1.676 . . . . 0.0 112.69 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -127.45 160.49 31.32 Favored 'General case' 0 C--O 1.244 0.786 0 O-C-N 121.645 -0.915 . . . . 0.0 110.108 171.467 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.41 116.06 4.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.96 0.885 . . . . 0.0 111.417 -173.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.55 165.07 34.88 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 102.85 15.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 123.366 1.555 . . . . 0.0 111.211 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.25 -171.57 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 122.174 0.988 . . . . 0.0 111.171 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.527 HG23 ' HG2' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -98.61 116.65 31.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.661 172.414 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NE ' ' CE1' ' A' ' 46' ' ' PHE . 4.3 ptt85 -140.26 -178.3 5.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.508 1.623 . . . . 0.0 111.842 -172.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.823 ' HB3' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -160.17 161.88 33.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 114.41 -1.268 . . . . 0.0 110.42 170.293 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -144.42 47.29 1.39 Allowed 'General case' 0 C--N 1.318 -0.763 0 O-C-N 121.136 -0.978 . . . . 0.0 110.55 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.516 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 3.4 tm-20 -179.04 154.87 0.71 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.544 1.164 . . . . 0.0 112.898 -171.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.591 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER 165.85 124.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.537 1.135 . . . . 0.0 110.481 171.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.46 178.02 4.68 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.145 0.974 . . . . 0.0 111.438 -173.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.56 -36.33 7.98 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.837 . . . . 0.0 111.09 174.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' THR . 1.0 OUTLIER -66.94 -34.4 77.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.98 0.895 . . . . 0.0 110.754 173.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER 65.03 163.69 0.15 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.112 0.958 . . . . 0.0 111.075 175.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 173.92 152.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.686 0.755 . . . . 0.0 110.948 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.89 33.05 10.78 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.907 0.861 . . . . 0.0 111.035 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.74 112.28 15.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.764 0.792 . . . . 0.0 110.944 -173.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 t -125.03 -81.65 0.63 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.858 0.837 . . . . 0.0 110.974 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -178.68 52.51 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.841 0.829 . . . . 0.0 111.062 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.58 66.57 0.08 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.553 0.692 . . . . 0.0 111.344 -176.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.3 -36.34 9.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.858 1.313 . . . . 0.0 110.667 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.604 ' CZ2' HD12 ' A' ' 98' ' ' LEU . 25.8 m95 -72.48 108.78 5.74 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.704 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 141.89 30.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.967 0.889 . . . . 0.0 111.062 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' HG23 ' A' ' 15' ' ' THR . 0.4 OUTLIER -95.98 120.0 35.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.522 0.677 . . . . 0.0 110.721 175.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -164.17 -169.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.88 0.848 . . . . 0.0 110.998 -173.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -101.52 146.25 27.92 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.948 171.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.528 ' CE ' ' CH2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -140.87 160.67 39.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.763 1.744 . . . . 0.0 112.252 -177.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.98 69.72 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 123.347 1.546 . . . . 0.0 109.296 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.811 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -142.63 178.99 7.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.994 1.378 . . . . 0.0 110.764 -171.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.77 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -163.15 -51.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 123.307 1.527 . . . . 0.0 111.84 171.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.776 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . 176.22 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 123.456 1.598 . . . . 0.0 110.139 -166.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.833 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.4 -40.4 0.18 Allowed Glycine 0 C--O 1.244 0.762 0 CA-C-N 114.238 -1.347 . . . . 0.0 112.101 171.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.873 ' O ' HD12 ' A' ' 44' ' ' ILE . 18.5 mtm-85 -158.69 171.78 19.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.666 0.746 . . . . 0.0 110.663 170.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.2 mp -134.03 149.8 30.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.846 0.831 . . . . 0.0 111.093 172.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.39 118.7 8.38 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 170.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.788 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 15.9 m-85 -105.61 146.74 29.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.715 1.245 . . . . 0.0 113.807 -170.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -158.9 118.99 3.15 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.214 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' CB ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -58.74 -32.07 68.91 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.138 -0.976 . . . . 0.0 110.922 171.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.83 -160.09 0.13 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.712 0.768 . . . . 0.0 110.991 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 55.5 mt-30 -88.83 63.63 6.91 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.854 0.835 . . . . 0.0 110.648 172.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.929 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -114.77 -83.69 0.61 Allowed 'General case' 0 C--O 1.253 1.263 0 O-C-N 121.598 -0.689 . . . . 0.0 110.818 -171.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.15 -38.81 40.63 Favored Glycine 0 N--CA 1.481 1.65 0 N-CA-C 105.793 -2.923 . . . . 0.0 105.793 168.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.51 -47.67 81.32 Favored 'General case' 0 C--O 1.251 1.184 0 CA-C-N 113.415 -1.392 . . . . 0.0 111.809 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HD3' ' HB3' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -43.23 -59.43 2.08 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.658 -1.276 . . . . 0.0 111.802 172.653 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.3 m -86.4 -62.4 1.52 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.854 0.835 . . . . 0.0 111.148 -173.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -121.52 95.31 48.26 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-O 121.772 0.796 . . . . 0.0 110.939 -174.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.84 -23.48 50.87 Favored 'Trans proline' 0 N--CA 1.533 3.795 1 C-N-CA 126.143 4.562 . . . . 0.0 115.049 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -45.71 77.14 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 121.478 -0.764 . . . . 0.0 111.033 172.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -93.15 -176.53 4.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.232 1.015 . . . . 0.0 111.447 173.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.725 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -161.34 -162.07 0.86 Allowed 'General case' 0 C--O 1.251 1.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.563 -177.322 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.929 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -50.25 145.1 6.45 Favored 'General case' 0 C--O 1.258 1.517 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.641 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -55.51 -9.38 0.48 Allowed 'General case' 0 C--O 1.252 1.19 0 CA-C-N 121.053 1.751 . . . . 0.0 112.199 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -91.16 54.8 3.25 Favored Glycine 0 CA--C 1.547 2.067 0 N-CA-C 106.506 -2.638 . . . . 0.0 106.506 165.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.875 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -86.75 -26.62 0.35 Allowed Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -170.431 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.875 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 5.7 Cg_exo -35.71 171.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.524 3.29 1 C-N-CA 129.516 6.811 . . . . 0.0 118.261 -173.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 m -139.31 -177.77 5.07 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.669 -175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HB2' HD13 ' A' ' 44' ' ' ILE . 39.5 m-85 -155.3 172.21 18.56 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.859 0.837 . . . . 0.0 110.788 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -150.83 61.18 0.93 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.08 0.943 . . . . 0.0 110.683 -173.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 ' CD2' HD23 ' A' ' 91' ' ' LEU . 3.6 mm? -114.63 87.53 2.66 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 -170.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 19.63 5.02 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 119.711 -1.868 . . . . 0.0 110.552 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.53 -38.75 4.84 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.573 1.549 . . . . 0.0 110.893 -172.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.15 134.38 14.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 122.068 0.937 . . . . 0.0 111.812 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.32 -166.5 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.946 0.879 . . . . 0.0 110.946 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.674 HD13 ' HA ' ' A' ' 115' ' ' LYS . 94.4 mt -149.1 133.71 9.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.751 0.786 . . . . 0.0 110.964 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.558 ' C ' HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -163.78 175.56 10.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.086 0.946 . . . . 0.0 111.268 175.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.1 mp -133.07 156.24 41.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.629 0.728 . . . . 0.0 110.987 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -56.53 136.09 54.37 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.687 -0.633 . . . . 0.0 110.549 173.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -121.16 -49.44 2.18 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 121.652 -0.655 . . . . 0.0 112.186 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -103.18 -14.29 16.43 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 121.268 -0.895 . . . . 0.0 112.77 -172.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.416 ' CB ' ' HB2' ' A' ' 83' ' ' LYS . 6.5 m-30 -67.2 162.55 22.28 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 120.893 -1.13 . . . . 0.0 111.056 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -73.91 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.711 0.767 . . . . 0.0 111.178 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.93 -24.69 67.13 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.414 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.597 ' HD3' ' CH2' ' A' ' 32' ' ' TRP . 17.1 mttp -91.28 -139.68 0.16 Allowed 'General case' 0 C--O 1.266 1.947 0 CA-C-O 117.887 -1.054 . . . . 0.0 108.818 169.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 59.94 16.5 5.83 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 121.632 2.014 . . . . 0.0 110.673 -169.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -132.55 32.16 3.92 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 124.447 2.07 . . . . 0.0 108.047 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.649 ' O ' HG23 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -130.63 175.36 11.22 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 113.906 -1.497 . . . . 0.0 111.275 -168.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.993 HD11 HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -135.44 151.84 50.81 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.924 -0.485 . . . . 0.0 109.702 170.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.781 ' CG ' HD22 ' A' ' 98' ' ' LEU . 18.9 ttp180 -147.78 102.6 3.43 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.882 0.849 . . . . 0.0 112.406 -170.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -95.89 119.74 44.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.584 0.707 . . . . 0.0 110.454 172.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -103.46 125.36 49.99 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.144 0.973 . . . . 0.0 111.324 -173.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.757 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -65.04 -161.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.856 0.836 . . . . 0.0 110.198 172.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.46 20.9 7.26 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.809 170.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.586 HD21 HD22 ' A' ' 91' ' ' LEU . 31.7 p30 -99.45 -18.27 17.54 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 121.296 -0.878 . . . . 0.0 111.146 173.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 -32.7 2.21 Favored Glycine 0 N--CA 1.465 0.586 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 173.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -88.45 167.53 13.39 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.593 -0.945 . . . . 0.0 111.086 -173.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.766 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -142.45 143.11 32.46 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.565 -0.709 . . . . 0.0 111.065 173.165 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.746 ' CE2' HD11 ' A' ' 44' ' ' ILE . 4.9 m-85 -89.24 97.38 11.16 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.722 0.772 . . . . 0.0 110.563 175.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.921 ' C ' HD23 ' A' ' 99' ' ' LEU . 1.2 mt -84.67 147.57 26.87 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 121.664 -0.648 . . . . 0.0 110.622 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -140.47 106.18 5.13 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.238 -0.914 . . . . 0.0 112.185 -172.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.625 ' HB2' HG23 ' A' ' 86' ' ' VAL . 6.9 tt0 -107.32 99.0 8.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.937 0.875 . . . . 0.0 110.449 172.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -79.62 -175.7 4.95 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.762 0.791 . . . . 0.0 111.107 -172.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.407 ' HB3' ' CD ' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -80.99 -64.75 1.12 Allowed 'General case' 0 C--O 1.248 0.994 0 O-C-N 121.837 -0.54 . . . . 0.0 110.978 -172.788 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -90.07 -147.43 0.19 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 120.976 -1.078 . . . . 0.0 110.735 -176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -125.41 3.32 7.71 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.629 -0.669 . . . . 0.0 110.587 168.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.7 m -90.21 -40.43 12.19 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.221 1.486 . . . . 0.0 110.532 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 102' ' ' HIS . 0.9 OUTLIER -91.15 -8.63 48.16 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.842 175.425 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -73.98 -51.2 16.71 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 123.907 1.813 . . . . 0.0 109.601 171.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.851 ' O ' HG23 ' A' ' 112' ' ' THR . 16.1 t -61.65 -44.07 97.66 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.748 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.525 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 5.5 mt-30 -64.97 -24.32 67.48 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 121.674 -0.641 . . . . 0.0 111.241 -178.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 10' ' ' HIS . 14.3 m95 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.576 -1.327 . . . . 0.0 109.391 170.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.933 ' HA ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -61.98 -37.19 77.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.076 0.941 . . . . 0.0 111.294 176.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.851 HG23 ' O ' ' A' ' 108' ' ' SER . 7.2 p -64.74 -46.33 82.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.535 1.159 . . . . 0.0 110.578 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -41.01 74.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.507 1.146 . . . . 0.0 111.01 -178.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.123 HD11 HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -66.76 -37.66 85.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.057 0.932 . . . . 0.0 111.246 -178.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.674 ' HA ' HD13 ' A' ' 74' ' ' ILE . 7.2 mtmt -57.53 -46.47 83.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.084 0.945 . . . . 0.0 110.98 174.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.01 62.55 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.312 0.577 . . . . 0.0 111.375 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 40' ' ' LYS . 2.4 mp0 -96.63 -82.61 0.4 Allowed 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.473 -0.767 . . . . 0.0 112.554 -172.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.776 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.5 m -19.71 -59.54 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.253 1.821 . . . . 0.0 114.265 -172.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.32 163.31 40.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.835 0.826 . . . . 0.0 111.044 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.0 t -152.17 80.2 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.826 0.822 . . . . 0.0 111.061 -174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.1 p -158.48 -50.78 0.06 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.995 0.902 . . . . 0.0 110.984 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.177 0 CA-C-O 121.96 0.886 . . . . 0.0 111.135 -177.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.261 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 -35.69 21.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.914 0.864 . . . . 0.0 111.004 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -125.41 2.71 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.7 p -110.75 -154.13 0.53 Allowed 'General case' 0 C--O 1.247 0.937 0 O-C-N 122.175 -0.603 . . . . 0.0 110.625 173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.38 72.8 0.68 Allowed Glycine 0 N--CA 1.465 0.615 0 O-C-N 121.19 -0.944 . . . . 0.0 111.139 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.56 106.02 13.18 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.905 0.86 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.896 ' HA2' ' HB1' ' A' ' 116' ' ' ALA . . . 60.54 70.53 0.98 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.96 156.05 43.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.866 0.841 . . . . 0.0 111.003 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' A' ' 40' ' ' LYS . . . -96.96 -132.26 7.31 Favored Glycine 0 C--O 1.26 1.747 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.552 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.99 178.59 9.22 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 119.537 1.669 . . . . 0.0 111.822 177.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.22 103.78 0.64 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.969 0.89 . . . . 0.0 110.796 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.8 -145.04 4.09 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -173.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -135.24 131.22 36.35 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.007 -0.702 . . . . 0.0 111.052 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.8 m -159.03 -168.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 122.942 1.354 . . . . 0.0 111.714 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.66 83.76 1.9 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.8 172.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.533 ' NH1' HG21 ' A' ' 35' ' ' VAL . 6.3 ptt-85 -94.48 -177.76 4.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 123.775 1.75 . . . . 0.0 112.471 -172.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.912 ' HB3' ' CD1' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -154.01 75.18 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 172.373 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' ND1' ' HG3' ' A' ' 16' ' ' ARG . 1.5 m80 -92.11 37.51 0.98 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -171.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 28.4 tt0 -177.55 145.38 0.42 Allowed 'General case' 0 C--O 1.245 0.868 0 C-N-CA 123.169 0.588 . . . . 0.0 110.855 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 176.31 56.65 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.318 1.533 . . . . 0.0 111.096 176.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.24 88.24 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.041 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -117.85 -38.97 3.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.579 0.704 . . . . 0.0 111.198 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 72.3 164.92 0.29 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.057 0.932 . . . . 0.0 111.067 -176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 66.36 169.55 0.23 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.959 0.885 . . . . 0.0 110.984 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -108.0 73.19 0.88 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.912 0.863 . . . . 0.0 110.981 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -142.7 32.74 1.43 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.37 1.081 . . . . 0.0 110.861 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.48 104.58 3.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.951 0.882 . . . . 0.0 110.982 -174.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -86.41 122.39 30.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.869 0.842 . . . . 0.0 110.969 175.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.79 119.98 1.19 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.94 0.876 . . . . 0.0 111.076 -174.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -77.6 -64.72 1.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.72 0.772 . . . . 0.0 111.081 -177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 -146.18 0.13 Allowed 'General case' 0 C--O 1.25 1.127 0 O-C-N 121.92 -0.487 . . . . 0.0 110.583 -174.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.102 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 9.5 m0 -60.95 149.51 36.31 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.904 -1.122 . . . . 0.0 110.52 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -131.03 141.76 50.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.885 0.85 . . . . 0.0 110.969 -175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.82 136.2 39.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.557 0.694 . . . . 0.0 111.106 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG21 ' NH1' ' A' ' 16' ' ' ARG . 12.3 m -161.82 -178.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 122.082 0.944 . . . . 0.0 111.954 -173.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -104.54 99.23 8.92 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.328 172.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.774 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -101.13 165.75 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 124.351 2.025 . . . . 0.0 111.331 -172.062 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' ' 45' ' ' SER . . . -144.83 74.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.932 -1.486 . . . . 0.0 109.092 173.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 44' ' ' ILE . . . -149.61 -178.36 6.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.982 1.372 . . . . 0.0 110.988 -171.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.651 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -170.36 -48.71 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 123.081 1.42 . . . . 0.0 111.254 -179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.84 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . 164.83 -76.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.827 -171.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.867 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -34.92 -31.19 0.01 OUTLIER Glycine 0 C--O 1.242 0.613 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.72 171.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.867 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 1.1 mtm180 -156.35 -178.3 7.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.16 0.981 . . . . 0.0 111.184 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 43' ' ' ARG . 1.3 mp -143.61 152.93 16.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 C-N-CA 123.421 0.688 . . . . 0.0 110.522 172.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 30.6 t -154.0 121.52 5.84 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 121.592 -0.692 . . . . 0.0 110.375 172.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.467 ' CE2' HG21 ' A' ' 44' ' ' ILE . 22.9 m-85 -113.84 135.02 54.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.462 1.125 . . . . 0.0 113.934 -172.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 12.9 p90 -160.24 103.74 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.127 0.965 . . . . 0.0 111.323 172.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -51.67 -39.44 58.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 123.607 1.67 . . . . 0.0 110.178 176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 51' ' ' LYS . 21.8 p-10 179.82 119.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.237 172.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.523 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 1.1 mt-30 -20.99 78.01 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 125.706 1.603 . . . . 0.0 114.342 -170.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.058 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -117.23 -83.17 0.64 Allowed 'General case' 0 C--O 1.251 1.172 0 C-N-CA 123.4 0.68 . . . . 0.0 109.564 -172.534 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -51.17 -38.17 39.42 Favored Glycine 0 N--CA 1.483 1.813 0 N-CA-C 104.992 -3.243 . . . . 0.0 104.992 169.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -51.0 68.1 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 113.466 -1.367 . . . . 0.0 110.84 171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -36.78 -45.88 0.57 Allowed 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.329 -0.857 . . . . 0.0 112.1 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -90.55 -79.92 0.34 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.819 0.818 . . . . 0.0 111.074 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.33 148.1 36.95 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-O 121.932 0.872 . . . . 0.0 111.018 -173.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -76.46 -25.48 9.63 Favored 'Trans proline' 0 N--CA 1.528 3.537 1 C-N-CA 126.234 4.623 . . . . 0.0 115.324 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.98 -18.87 45.45 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 121.276 -0.89 . . . . 0.0 111.759 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.8 mt -117.08 147.73 42.13 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 120.992 -1.067 . . . . 0.0 111.415 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.637 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -154.28 -165.78 2.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.58 0.705 . . . . 0.0 110.799 173.216 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.058 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 7.6 t80 -43.54 132.77 4.66 Favored 'General case' 0 C--O 1.269 2.125 0 CA-C-O 117.23 -1.367 . . . . 0.0 109.777 171.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -49.06 133.08 18.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 120.618 1.553 . . . . 0.0 109.35 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.35 35.35 6.64 Favored Glycine 0 CA--C 1.556 2.645 0 N-CA-C 104.479 -3.449 . . . . 0.0 104.479 -166.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.919 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 4.7 pt-20 -78.8 -33.57 0.9 Allowed Pre-proline 0 C--N 1.314 -0.972 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 -167.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.919 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 67.8 Cg_exo -49.85 -167.66 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.259 1 C-N-CA 129.538 6.825 . . . . 0.0 117.134 -174.385 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 44' ' ' ILE . 36.4 m -148.02 150.87 34.75 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 113.88 -1.509 . . . . 0.0 110.513 -173.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 20.1 m-30 -114.82 174.21 6.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 123.329 1.537 . . . . 0.0 111.592 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.12 75.13 1.49 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.585 172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD22 ' CD2' ' A' ' 91' ' ' LEU . 15.8 mt -112.1 85.98 2.26 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -170.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.67 16.87 9.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 123.843 1.783 . . . . 0.0 110.24 168.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -101.65 -41.15 6.68 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 125.915 1.686 . . . . 0.0 110.997 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.003 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -58.21 177.61 0.12 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.743 1.258 . . . . 0.0 111.61 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.71 -161.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.929 -177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.679 HD11 ' CA ' ' A' ' 115' ' ' LYS . 2.4 mt -125.75 158.33 34.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.978 0.894 . . . . 0.0 111.039 -176.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.04 160.98 8.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.145 0.974 . . . . 0.0 111.166 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 mp -113.33 163.75 10.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.65 0.738 . . . . 0.0 110.805 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.891 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -57.49 144.75 35.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.867 0.842 . . . . 0.0 111.177 -177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.0 t -124.22 -52.73 1.74 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.977 0.894 . . . . 0.0 111.05 -178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -97.92 57.46 1.31 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.573 1.178 . . . . 0.0 110.502 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 8.1 p90 -90.52 138.06 31.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 123.186 1.469 . . . . 0.0 112.3 -172.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' A' ' 81' ' ' THR . 0.5 OUTLIER -115.87 90.84 3.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 123.878 1.799 . . . . 0.0 108.061 171.114 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt 55.58 26.18 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 123.115 1.436 . . . . 0.0 109.774 -170.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 80' ' ' TYR . 17.5 mtmm -110.48 9.88 23.25 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.167 1.387 . . . . 0.0 112.263 173.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' HB3' ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -73.32 7.25 2.34 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 172.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -108.29 35.21 3.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 124.149 1.928 . . . . 0.0 108.942 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.891 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -124.28 -177.87 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.692 -172.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.914 ' CB ' HG23 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.3 148.88 18.62 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.3 -175.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.896 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 45.3 mtp180 -146.01 143.6 29.56 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -171.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.693 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -118.72 119.07 59.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.52 0.676 . . . . 0.0 109.94 171.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -88.49 152.02 22.15 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.936 0.874 . . . . 0.0 111.119 -173.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.003 HD23 ' HB2' ' A' ' 72' ' ' ALA . 3.5 mt -112.18 168.95 9.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.965 0.888 . . . . 0.0 111.226 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.64 -32.46 58.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.639 0.733 . . . . 0.0 111.124 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -33.92 69.23 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.038 -175.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 147.76 -53.97 0.53 Allowed Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -56.85 168.38 0.64 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.047 0.927 . . . . 0.0 111.017 -173.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.833 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -133.65 -179.81 5.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.257 0.551 . . . . 0.0 111.232 173.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' HG13 ' A' ' 89' ' ' VAL . 7.1 m-85 -130.34 91.28 3.07 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.303 -0.873 . . . . 0.0 110.512 172.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.102 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 3.6 mp -80.54 148.7 30.27 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.671 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.52 112.46 12.12 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 120.851 -1.156 . . . . 0.0 112.344 -177.288 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 83' ' ' LYS . 15.1 tt0 -113.86 78.83 1.18 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.823 0.82 . . . . 0.0 110.818 172.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.489 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.4 -172.58 3.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 123.495 1.617 . . . . 0.0 112.571 -172.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -77.86 -68.92 0.58 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.745 -172.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 168.99 11.52 Favored 'General case' 0 C--N 1.319 -0.731 0 O-C-N 121.201 -0.937 . . . . 0.0 111.205 -172.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -85.9 -4.13 59.09 Favored 'General case' 0 C--O 1.247 0.944 0 O-C-N 121.498 -0.751 . . . . 0.0 110.756 171.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.08 16.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 123.354 1.55 . . . . 0.0 110.584 176.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CD ' ' CD1' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -91.56 -18.31 24.29 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.673 176.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.39 -58.33 9.08 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 123.997 1.856 . . . . 0.0 109.421 175.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' VAL . 70.3 m -61.33 -55.8 27.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.954 177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 14.6 mt-30 -50.55 -38.72 46.54 Favored 'General case' 0 C--O 1.256 1.42 0 O-C-N 121.78 -0.575 . . . . 0.0 110.669 -176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.645 ' HB3' HD12 ' A' ' 99' ' ' LEU . 9.1 m95 -54.67 -57.16 12.56 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 119.77 1.168 . . . . 0.0 109.838 171.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.914 HG23 ' CB ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -55.95 -51.74 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.271 1.034 . . . . 0.0 111.237 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.422 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -56.54 -34.75 67.35 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 172.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.476 ' HB3' ' HA2' ' A' ' 9' ' ' GLY . 1.4 m -67.34 -34.64 77.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.99 0.9 . . . . 0.0 111.222 176.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD11 HD11 ' A' ' 99' ' ' LEU . 93.1 mt -68.57 -39.17 81.12 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 123.099 1.428 . . . . 0.0 110.554 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.679 ' CA ' HD11 ' A' ' 74' ' ' ILE . 2.3 tttp -49.14 -61.99 1.78 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.081 173.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.896 ' HB1' ' HA2' ' A' ' 7' ' ' GLY . . . -51.42 -30.53 19.64 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.346 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' NE2' ' HE3' ' A' ' 40' ' ' LYS . 12.6 mm-40 -95.49 -70.47 0.71 Allowed 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.517 -0.739 . . . . 0.0 111.796 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.678 ' N ' ' HB3' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -55.45 88.64 0.01 OUTLIER 'General case' 0 C--O 1.267 1.997 0 O-C-N 121.094 -1.004 . . . . 0.0 110.188 172.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.73 125.45 41.2 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 121.937 2.153 . . . . 0.0 111.574 -172.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.36 166.96 31.0 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.741 0.782 . . . . 0.0 110.874 173.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.7 p -142.38 -162.11 1.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.702 0.763 . . . . 0.0 110.756 176.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.121 0 CA-C-O 122.037 0.923 . . . . 0.0 110.968 179.163 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.254 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.92 88.5 2.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.01 0.909 . . . . 0.0 111.021 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.7 96.72 0.1 Allowed Glycine 0 N--CA 1.461 0.33 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.8 m -113.96 -35.87 4.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.922 0.868 . . . . 0.0 110.934 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.23 131.05 10.46 Favored Glycine 0 C--N 1.32 -0.307 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.49 119.0 3.69 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.985 0.898 . . . . 0.0 110.994 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -109.35 0.13 Allowed Glycine 0 C--N 1.32 -0.312 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.49 -134.0 0.12 Allowed 'General case' 0 C--O 1.249 1.051 0 O-C-N 122.036 -0.685 . . . . 0.0 110.509 -174.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' HA3' ' CB ' ' A' ' 40' ' ' LYS . . . -98.74 -133.24 7.97 Favored Glycine 0 C--O 1.269 2.336 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' CB ' ' CE3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -160.36 155.47 24.67 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.108 2.454 . . . . 0.0 112.414 -173.194 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . 7.4 pt-20 -146.0 124.01 12.08 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 122.025 0.917 . . . . 0.0 111.395 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.16 -129.49 1.32 Allowed Glycine 0 C--O 1.238 0.405 0 N-CA-C 110.261 -1.136 . . . . 0.0 110.261 173.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -149.48 111.37 4.57 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 122.059 0.933 . . . . 0.0 110.763 173.019 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG23 ' CG ' ' A' ' 16' ' ' ARG . 23.5 m -141.82 -172.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.982 0.896 . . . . 0.0 111.173 -173.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 79.9 m -103.7 110.42 22.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.847 0.832 . . . . 0.0 110.685 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.708 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.6 mtm180 -124.25 146.43 48.75 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.969 0.89 . . . . 0.0 111.368 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HB3' HD13 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -100.69 80.09 2.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.807 0.813 . . . . 0.0 111.008 173.752 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -59.67 179.04 0.13 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.957 0.884 . . . . 0.0 111.017 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.911 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -36.01 140.4 0.12 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.42 1.105 . . . . 0.0 112.632 175.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.914 ' CZ3' ' HG2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -101.66 156.88 17.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.896 0.855 . . . . 0.0 111.092 174.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -162.25 66.48 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.138 0.971 . . . . 0.0 110.996 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 p -82.16 -28.87 31.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.491 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.678 ' CG2' HG23 ' A' ' 24' ' ' THR . 1.0 OUTLIER -54.42 101.49 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.042 0.925 . . . . 0.0 111.2 -174.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.678 HG23 ' CG2' ' A' ' 23' ' ' THR . 0.1 OUTLIER 68.49 156.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.939 0.876 . . . . 0.0 110.999 176.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.13 153.1 0.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.935 0.874 . . . . 0.0 110.986 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -104.35 84.57 2.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.938 0.875 . . . . 0.0 110.986 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.72 139.98 58.82 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.001 0.905 . . . . 0.0 110.965 -174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -99.18 45.19 1.0 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.007 0.908 . . . . 0.0 110.995 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 179.98 91.27 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.725 0.774 . . . . 0.0 111.112 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -159.56 -174.93 4.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.433 1.111 . . . . 0.0 111.496 -173.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.526 ' HA ' ' CH2' ' A' ' 20' ' ' TRP . 0.1 OUTLIER 75.81 -169.88 0.09 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.895 1.331 . . . . 0.0 111.119 -179.751 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.831 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 52.3 m95 -82.35 157.07 23.91 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.136 172.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.82 157.29 26.47 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 122.235 1.017 . . . . 0.0 111.604 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.09 132.43 51.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.715 0.769 . . . . 0.0 110.898 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -165.71 165.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.757 0.789 . . . . 0.0 111.089 -173.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -79.01 88.64 4.77 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.628 1.204 . . . . 0.0 110.79 173.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.568 ' HE2' HG23 ' A' ' 35' ' ' VAL . 9.2 mmt -80.45 139.05 36.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 123.091 1.424 . . . . 0.0 111.136 -174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' HB2' ' HE1' ' A' ' 47' ' ' TYR . . . -130.02 65.75 1.5 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 122.534 1.159 . . . . 0.0 108.585 171.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.79 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -139.56 171.78 13.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 123.807 1.765 . . . . 0.0 111.802 -170.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.681 ' HB2' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.44 -155.41 0.1 Allowed 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.679 173.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.989 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -98.25 33.43 2.19 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 122.652 1.215 . . . . 0.0 110.38 171.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.801 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -121.51 -53.34 0.23 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 106.959 -2.456 . . . . 0.0 106.959 172.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.801 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.6 mtt180 -158.65 147.41 18.69 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.028 -1.086 . . . . 0.0 110.86 170.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.79 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -93.04 149.32 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.826 0.822 . . . . 0.0 111.352 174.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -149.02 112.64 5.05 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.751 0.82 . . . . 0.0 109.618 172.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' HG23 ' A' ' 44' ' ' ILE . 9.1 m-30 -109.45 138.49 45.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -171.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' HE1' ' HB2' ' A' ' 38' ' ' ALA . 3.9 p90 -160.28 129.87 5.15 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.966 0.506 . . . . 0.0 110.58 171.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.736 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.7 tppt? -66.52 -45.07 80.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.85 1.786 . . . . 0.0 109.848 176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 -151.11 0.29 Allowed 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.849 172.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' O ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -90.23 69.68 7.15 Favored 'General case' 0 C--N 1.317 -0.809 0 O-C-N 121.143 -0.973 . . . . 0.0 110.56 172.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.94 ' HD2' ' HB2' ' A' ' 61' ' ' PHE . 5.3 ptpt -113.03 -88.03 0.55 Allowed 'General case' 0 C--O 1.256 1.418 0 C-N-CA 124.649 1.179 . . . . 0.0 111.255 -172.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -49.23 -35.06 19.15 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 106.179 -2.768 . . . . 0.0 106.179 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -47.03 83.51 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 113.945 -1.128 . . . . 0.0 111.81 172.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -35.87 -47.24 0.5 Allowed 'General case' 0 C--O 1.244 0.775 0 O-C-N 120.825 -1.172 . . . . 0.0 112.87 172.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -96.21 -47.43 6.04 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.401 -0.812 . . . . 0.0 111.566 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -138.85 143.85 39.15 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-O 121.892 0.853 . . . . 0.0 111.247 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -69.3 -12.1 32.99 Favored 'Trans proline' 0 N--CA 1.529 3.595 1 C-N-CA 126.204 4.602 . . . . 0.0 115.756 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -102.28 -10.29 19.65 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 120.768 -1.207 . . . . 0.0 111.676 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.65 163.21 16.81 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 120.809 -1.182 . . . . 0.0 111.462 173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -155.5 -160.95 1.09 Allowed 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.739 173.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.94 ' HB2' ' HD2' ' A' ' 51' ' ' LYS . 3.5 t80 -44.9 131.96 6.93 Favored 'General case' 0 C--O 1.274 2.383 0 CA-C-O 116.534 -1.698 . . . . 0.0 108.866 170.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.8 mtt85 -47.15 131.45 12.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 121.167 1.803 . . . . 0.0 109.022 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.88 35.76 6.01 Favored Glycine 0 CA--C 1.557 2.669 0 N-CA-C 104.72 -3.352 . . . . 0.0 104.72 -166.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.87 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -80.16 -35.48 0.91 Allowed Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 113.214 -1.493 . . . . 0.0 114.7 -168.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.87 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 84.5 Cg_exo -51.71 -164.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.525 3.336 1 C-N-CA 130.022 7.148 . . . . 0.0 117.143 -174.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.52 ' HA ' HG22 ' A' ' 44' ' ' ILE . 6.0 p -133.01 167.91 19.43 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.404 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.639 ' HB2' HD21 ' A' ' 69' ' ' LEU . 74.2 m-85 -148.66 89.93 1.74 Allowed 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.342 -0.849 . . . . 0.0 111.118 172.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 43' ' ' ARG . 32.6 t70 -52.85 89.92 0.01 OUTLIER 'General case' 0 C--O 1.256 1.401 0 O-C-N 121.868 -0.52 . . . . 0.0 111.865 173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.802 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -103.48 59.39 0.75 Allowed 'General case' 0 C--O 1.269 2.124 0 O-C-N 120.462 -1.399 . . . . 0.0 113.736 -174.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.71 15.03 2.8 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 119.035 -2.29 . . . . 0.0 110.958 169.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -105.83 -35.72 7.25 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.883 2.073 . . . . 0.0 111.289 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.05 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -55.42 162.74 1.43 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-O 123.084 1.421 . . . . 0.0 111.249 -173.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 89' ' ' VAL . . . -113.43 -163.86 0.88 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.006 174.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.932 ' CG1' HG23 ' A' ' 89' ' ' VAL . 0.7 OUTLIER -146.32 146.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.88 0.848 . . . . 0.0 111.112 -174.301 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -163.48 157.27 19.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.821 0.82 . . . . 0.0 111.064 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 77' ' ' ALA . 2.6 mt -112.44 164.26 8.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.892 0.853 . . . . 0.0 111.019 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -63.87 162.22 14.07 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.586 0.707 . . . . 0.0 110.855 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.14 -82.49 0.39 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.926 0.869 . . . . 0.0 111.636 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.29 70.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.018 0.913 . . . . 0.0 111.38 -172.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' H ' ' HG3' ' A' ' 84' ' ' LYS . 10.7 m-85 -120.0 162.82 18.57 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.479 1.133 . . . . 0.0 111.19 173.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -107.86 33.96 3.81 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 123.322 1.534 . . . . 0.0 109.981 172.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 83' ' ' LYS . 9.3 tttt 153.08 128.27 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 126.357 1.863 . . . . 0.0 109.26 -171.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.668 ' O ' HG12 ' A' ' 86' ' ' VAL . 14.1 mttm 85.2 -2.76 0.87 Allowed 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 125.062 1.345 . . . . 0.0 110.114 -170.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HA ' ' HB1' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -69.08 7.16 0.77 Allowed 'General case' 0 N--CA 1.472 0.649 0 O-C-N 120.402 -1.436 . . . . 0.0 114.716 171.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.6 m-70 -115.53 27.32 9.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.293 172.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.8 p -116.18 158.79 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 122.118 0.961 . . . . 0.0 111.351 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -101.68 176.89 5.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.738 0.78 . . . . 0.0 110.705 172.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.954 ' HG2' ' HG ' ' A' ' 98' ' ' LEU . 10.7 mtp180 -158.14 102.79 1.8 Allowed 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.989 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -99.21 98.24 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 124.493 2.092 . . . . 0.0 110.027 173.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.65 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -82.06 165.15 20.86 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.982 -172.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.05 HD23 ' HB2' ' A' ' 72' ' ' ALA . 2.6 mt -114.03 176.27 5.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.963 0.887 . . . . 0.0 110.975 175.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.54 19.24 12.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.768 -0.582 . . . . 0.0 111.647 173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -117.94 -37.51 3.4 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.295 -0.878 . . . . 0.0 110.933 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 154.73 -30.54 0.68 Allowed Glycine 0 C--O 1.241 0.568 0 O-C-N 121.622 -0.674 . . . . 0.0 111.953 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.911 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -86.09 163.92 17.61 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.434 -1.039 . . . . 0.0 111.318 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -134.56 163.82 28.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.502 0.667 . . . . 0.0 111.374 -177.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.931 ' HB2' HG12 ' A' ' 89' ' ' VAL . 75.7 m-85 -130.95 85.98 2.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.891 1.329 . . . . 0.0 110.665 173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HB3' ' A' ' 17' ' ' LYS . 2.4 mp -86.48 153.68 21.68 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.973 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -134.43 115.62 14.21 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.227 -0.921 . . . . 0.0 112.174 -172.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 86' ' ' VAL . 52.4 tt0 -110.83 95.26 5.44 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.368 -0.832 . . . . 0.0 110.244 172.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . . . -79.61 178.01 8.46 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.772 1.272 . . . . 0.0 111.969 -172.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.77 -45.93 9.38 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.964 -172.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 2.4 t70 -88.2 -36.2 16.92 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.021 -1.05 . . . . 0.0 112.968 -170.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 11.5 t70 98.98 -32.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.753 1.621 . . . . 0.0 109.38 -171.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.4 m -75.6 -35.46 60.54 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 122.392 1.091 . . . . 0.0 110.428 172.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -28.04 34.53 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 121.512 -0.743 . . . . 0.0 109.436 174.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.56 ' HG2' HD21 ' A' ' 87' ' ' LEU . 1.7 tmt? -50.13 -56.89 9.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 124.42 2.057 . . . . 0.0 110.418 174.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.504 ' O ' HG12 ' A' ' 111' ' ' VAL . 6.5 t -66.77 -41.32 87.92 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.471 -1.241 . . . . 0.0 110.804 -177.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 12.8 mt-30 -57.25 -39.11 74.93 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 122.75 0.42 . . . . 0.0 111.649 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.695 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.5 m95 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 120.136 -1.602 . . . . 0.0 110.783 172.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.958 HG23 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -77.62 -33.76 19.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 122.143 0.973 . . . . 0.0 111.572 -173.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -72.95 -37.32 67.18 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 121.697 -0.627 . . . . 0.0 111.144 173.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -54.11 24.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 123.833 1.777 . . . . 0.0 109.99 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -51.65 -29.29 17.32 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 114.657 -1.156 . . . . 0.0 112.266 173.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.895 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.9 tttp -67.08 -48.77 67.22 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.038 0.923 . . . . 0.0 110.616 177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.2 -17.51 41.83 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.739 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' HB3' ' C ' ' A' ' 41' ' ' ALA . 5.7 mm-40 -92.78 -65.41 1.0 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 120.9 -1.125 . . . . 0.0 111.887 -172.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.811 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -46.9 126.49 8.85 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.988 -1.07 . . . . 0.0 109.842 176.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.13 167.76 10.53 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 120.346 1.43 . . . . 0.0 111.106 -173.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 81.07 163.14 0.16 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 122.775 1.274 . . . . 0.0 111.351 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.3 p -52.11 107.73 0.23 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.105 0.955 . . . . 0.0 111.412 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.161 0 CA-C-O 121.982 0.896 . . . . 0.0 110.971 173.179 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.267 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 m -88.18 -58.79 2.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.979 0.895 . . . . 0.0 111.003 -178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 54.46 34.97 55.49 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 m -81.41 -61.24 2.0 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.967 0.889 . . . . 0.0 110.994 174.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.3 -123.9 6.68 Favored Glycine 0 C--N 1.32 -0.335 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.83 -160.54 0.11 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.822 0.82 . . . . 0.0 110.93 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.76 -66.12 0.06 OUTLIER Glycine 0 C--O 1.238 0.392 0 CA-C-O 121.7 0.611 . . . . 0.0 111.582 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -135.18 -177.39 4.62 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.667 -0.901 . . . . 0.0 111.348 -173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.667 ' HA3' ' CD ' ' A' ' 40' ' ' LYS . . . -64.73 -111.61 0.01 OUTLIER Glycine 0 N--CA 1.464 0.554 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -130.12 161.42 31.11 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 121.756 -0.849 . . . . 0.0 110.047 172.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -146.24 127.12 14.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.671 0.748 . . . . 0.0 110.513 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' HE3' ' A' ' 37' ' ' MET . . . -158.36 -167.6 19.42 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-O 122.728 1.182 . . . . 0.0 112.441 -172.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -125.7 114.22 18.37 Favored 'General case' 0 C--O 1.244 0.808 0 O-C-N 121.879 -0.777 . . . . 0.0 110.645 173.29 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 37' ' ' MET . 2.1 m -155.21 -161.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 122.435 1.112 . . . . 0.0 112.908 -172.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.499 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -103.07 83.26 2.19 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 122.257 1.027 . . . . 0.0 109.894 172.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD3' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -90.3 -178.43 5.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 124.866 2.27 . . . . 0.0 113.682 -171.665 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.144 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -115.78 -160.03 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 125.055 2.36 . . . . 0.0 116.504 -171.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.652 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 178.11 161.54 0.59 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 113.537 -1.665 . . . . 0.0 112.094 165.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.816 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 8.1 pt-20 -35.22 151.82 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 124.664 1.186 . . . . 0.0 112.549 172.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.15 154.05 44.55 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.767 0.794 . . . . 0.0 111.253 -174.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.19 171.68 8.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.173 0.987 . . . . 0.0 111.063 174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.0 -42.02 3.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.931 0.872 . . . . 0.0 111.032 -174.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 24' ' ' THR . 63.6 p -83.07 106.58 15.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.91 0.862 . . . . 0.0 111.015 -178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -179.89 147.11 0.26 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.456 0.646 . . . . 0.0 111.015 179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -58.97 -56.09 26.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.714 0.768 . . . . 0.0 110.467 174.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER 160.32 99.2 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 124.88 1.272 . . . . 0.0 110.264 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.28 -159.87 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.99 0.9 . . . . 0.0 111.143 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 71.42 91.77 0.09 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.904 0.859 . . . . 0.0 110.966 -176.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m120 65.79 -172.17 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.801 0.81 . . . . 0.0 110.934 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -123.01 82.59 2.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.882 0.849 . . . . 0.0 111.009 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.0 m 55.99 -149.44 0.46 Allowed 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.808 -0.558 . . . . 0.0 110.671 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.86 ' CH2' HG21 ' A' ' 86' ' ' VAL . 9.0 m0 -70.6 165.02 23.67 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.181 -0.949 . . . . 0.0 110.618 174.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.57 142.26 39.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.039 0.923 . . . . 0.0 111.584 -173.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -85.01 128.04 34.46 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.705 173.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -166.14 177.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.393 1.092 . . . . 0.0 111.743 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.499 ' CD2' ' CD2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -105.63 140.63 38.4 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.684 172.013 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.588 ' HE2' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -140.49 164.7 29.44 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 123.835 1.778 . . . . 0.0 112.44 -173.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -149.1 73.66 1.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 123.743 1.735 . . . . 0.0 109.785 173.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.006 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.68 176.65 10.49 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.357 -172.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.8 ' O ' HG11 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -171.23 -41.34 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.657 0.741 . . . . 0.0 111.948 170.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.021 ' HB1' ' HA ' ' A' ' 118' ' ' SER . . . -177.33 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.528 1.156 . . . . 0.0 110.428 -170.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -29.46 -32.06 0.01 OUTLIER Glycine 0 C--O 1.242 0.652 0 C-N-CA 126.096 1.807 . . . . 0.0 113.68 171.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' O ' HD12 ' A' ' 44' ' ' ILE . 62.0 mtm-85 -160.75 177.09 10.79 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.845 -0.797 . . . . 0.0 110.793 172.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.006 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -141.22 149.05 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.055 -1.028 . . . . 0.0 110.864 172.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.7 t -148.02 119.82 8.11 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 121.766 -0.584 . . . . 0.0 110.513 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.712 ' O ' HG21 ' A' ' 60' ' ' THR . 19.1 m-30 -106.43 144.79 32.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.646 1.212 . . . . 0.0 113.94 -172.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -160.36 98.4 1.27 Allowed 'General case' 0 C--O 1.244 0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.065 171.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.715 ' HA ' HG12 ' A' ' 35' ' ' VAL . 32.0 tttt -48.73 -39.56 25.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 123.324 1.535 . . . . 0.0 110.544 174.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.91 -174.93 5.18 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.653 173.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -61.27 -19.45 61.73 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 121.304 -0.872 . . . . 0.0 111.868 173.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.881 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -32.3 -71.2 0.06 Allowed 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 126.032 1.733 . . . . 0.0 115.544 -171.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.602 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -69.16 -46.3 58.56 Favored Glycine 0 N--CA 1.47 0.96 0 N-CA-C 108.399 -1.88 . . . . 0.0 108.399 -176.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 3.1 m-85 -46.25 -29.17 1.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 122.389 1.09 . . . . 0.0 111.194 172.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -77.07 -49.29 15.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.2 1.0 . . . . 0.0 110.918 -175.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.9 t -95.52 -55.3 3.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.926 0.87 . . . . 0.0 110.934 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -127.68 93.93 38.91 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.465 0.65 . . . . 0.0 110.872 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 77.4 Cg_exo -55.34 -26.57 53.42 Favored 'Trans proline' 0 N--CA 1.529 3.597 1 C-N-CA 126.181 4.587 . . . . 0.0 115.044 -177.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -35.06 37.07 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.189 -0.944 . . . . 0.0 110.919 173.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.26 84.92 2.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.704 0.764 . . . . 0.0 111.749 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.712 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -66.31 -158.77 0.02 OUTLIER 'General case' 0 C--O 1.255 1.345 0 O-C-N 121.911 -0.493 . . . . 0.0 110.338 172.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.881 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -47.81 143.27 4.15 Favored 'General case' 0 C--O 1.261 1.67 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.992 170.564 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -50.4 -15.06 0.21 Allowed 'General case' 0 C--O 1.252 1.226 0 CA-C-N 121.737 2.062 . . . . 0.0 112.917 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.584 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.24 58.73 3.12 Favored Glycine 0 CA--C 1.555 2.559 0 N-CA-C 104.955 -3.258 . . . . 0.0 104.955 167.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' N ' ' CD ' ' A' ' 65' ' ' PRO . 0.9 OUTLIER -86.97 -24.72 0.32 Allowed Pre-proline 0 C--N 1.316 -0.878 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -170.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 1.2 Cg_exo -34.06 166.46 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.478 1 C-N-CA 129.712 6.942 . . . . 0.0 118.145 -174.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.927 ' HA ' HG22 ' A' ' 44' ' ' ILE . 9.5 p -146.83 168.92 20.23 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.765 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.719 ' HB3' HD13 ' A' ' 69' ' ' LEU . 65.7 m-85 -146.4 172.9 12.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.602 1.191 . . . . 0.0 111.066 -176.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 61.4 t0 -139.59 75.98 1.54 Allowed 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.999 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.936 HD21 HD11 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.68 75.66 0.96 Allowed 'General case' 0 C--O 1.255 1.38 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -171.089 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.478 ' N ' ' HA2' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -86.32 13.43 8.12 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 119.998 -1.689 . . . . 0.0 111.167 170.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -98.04 -37.82 9.61 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 125.346 1.458 . . . . 0.0 111.923 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.535 ' HB2' HD23 ' A' ' 91' ' ' LEU . . . -48.57 159.82 0.2 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 123.405 1.574 . . . . 0.0 112.339 -172.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -103.56 178.08 4.66 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.069 173.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 114' ' ' LEU . 1.1 mt -133.63 149.4 30.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.21 1.005 . . . . 0.0 111.674 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 76' ' ' ILE . 2.8 pm0 -168.46 -170.75 1.3 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.809 0.814 . . . . 0.0 111.067 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 75' ' ' GLU . 1.9 mp -119.21 165.83 14.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.004 0.907 . . . . 0.0 111.053 176.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' N ' HG22 ' A' ' 76' ' ' ILE . . . -63.53 153.87 34.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.022 0.915 . . . . 0.0 111.203 175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.1 t -126.97 -42.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.927 0.87 . . . . 0.0 111.168 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.64 59.48 0.87 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.823 1.297 . . . . 0.0 110.499 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CD2' ' CB ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -78.32 -74.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.636 -172.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 81' ' ' THR . 1.1 m 61.27 80.05 0.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.441 1.115 . . . . 0.0 109.926 -172.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 81' ' ' THR . 0.0 OUTLIER 89.91 -30.69 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 126.362 1.865 . . . . 0.0 110.719 -172.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 13.1 mttt -76.53 4.19 9.77 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.44 -0.788 . . . . 0.0 112.981 172.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.562 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -66.02 8.25 0.22 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 173.33 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -120.41 34.18 5.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 123.152 1.453 . . . . 0.0 109.716 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.86 HG21 ' CH2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -126.32 153.03 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 122.396 1.093 . . . . 0.0 111.736 -172.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.048 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -123.96 167.24 14.41 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 123.554 0.742 . . . . 0.0 111.013 173.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.984 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.9 mtt180 -158.45 129.37 6.31 Favored 'General case' 0 C--O 1.248 0.983 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.8 HG11 ' O ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -110.71 107.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 120.928 -1.108 . . . . 0.0 109.639 171.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 3.8 mtpt -79.8 163.7 24.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.572 1.177 . . . . 0.0 111.546 -172.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.936 HD11 HD21 ' A' ' 69' ' ' LEU . 5.2 mt -118.51 173.41 6.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.961 -176.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.8 -35.76 22.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.904 0.859 . . . . 0.0 110.871 173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.654 HD21 HD13 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -73.97 -23.43 59.48 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.546 -178.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 120.33 -17.93 9.6 Favored Glycine 0 C--O 1.246 0.899 0 O-C-N 121.21 -0.931 . . . . 0.0 112.218 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.816 ' HB1' ' HB3' ' A' ' 19' ' ' GLU . . . -80.22 91.47 5.59 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 121.054 -1.262 . . . . 0.0 111.485 -175.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.067 HD13 HD21 ' A' ' 98' ' ' LEU . 3.0 pp -95.43 150.22 20.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.755 0.788 . . . . 0.0 111.067 -176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.929 ' C ' ' HG3' ' A' ' 17' ' ' LYS . 20.4 m-30 -118.21 83.98 2.1 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 121.697 -0.627 . . . . 0.0 110.262 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.144 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -69.23 167.62 15.9 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 118.803 -2.435 . . . . 0.0 112.36 172.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.048 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -150.25 115.88 5.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 120.082 -1.636 . . . . 0.0 111.75 -174.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -108.0 98.88 8.38 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 120.688 1.585 . . . . 0.0 110.611 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 107' ' ' MET . . . -79.37 163.7 24.63 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.977 0.894 . . . . 0.0 111.216 -173.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.19 -37.9 14.67 Favored 'General case' 0 C--O 1.252 1.192 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.587 -172.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -85.41 -35.8 21.08 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.796 -1.19 . . . . 0.0 112.045 -172.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER 87.49 -26.12 0.08 Allowed 'General case' 0 C--O 1.249 1.079 0 C-N-CA 124.947 1.299 . . . . 0.0 111.079 -173.133 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 31.5 m -85.54 -34.05 21.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 123.591 1.662 . . . . 0.0 109.935 172.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -79.32 -22.72 44.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.075 172.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.474 ' HB2' ' HB3' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -50.84 -43.3 59.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.816 1.293 . . . . 0.0 110.014 172.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.552 ' O ' HG12 ' A' ' 111' ' ' VAL . 1.1 m -66.24 -60.97 2.28 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 173.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 3.8 mm100 -43.25 -27.69 0.26 Allowed 'General case' 0 C--O 1.246 0.897 0 C-N-CA 123.182 0.593 . . . . 0.0 112.112 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.871 ' HB3' HD11 ' A' ' 87' ' ' LEU . 20.8 m95 -71.45 -58.31 3.63 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.989 -1.069 . . . . 0.0 110.653 173.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.871 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -47.11 -40.71 5.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 122.651 1.215 . . . . 0.0 111.492 176.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -32.61 60.8 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.803 -176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -43.01 80.56 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.06 -1.025 . . . . 0.0 110.837 173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.871 HD12 ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -71.98 -30.52 65.35 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 121.499 -0.751 . . . . 0.0 111.412 -179.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 74' ' ' ILE . 20.8 tttm -59.45 -40.21 86.1 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.198 0.999 . . . . 0.0 110.598 173.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.91 70.88 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.47 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -100.64 -75.02 0.59 Allowed 'General case' 0 C--O 1.245 0.833 0 O-C-N 121.357 -0.839 . . . . 0.0 112.859 -172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 1.021 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 2.2 m -25.28 -55.26 0.05 Allowed 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 126.014 1.726 . . . . 0.0 112.896 -173.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -109.74 111.2 22.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.628 0.728 . . . . 0.0 110.9 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.84 152.06 28.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.682 0.753 . . . . 0.0 110.995 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 p -126.58 -104.1 0.34 Allowed 'General case' 0 C--O 1.252 1.187 0 O-C-N 121.732 -0.605 . . . . 0.0 110.657 -175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.171 0 O-C-N 120.779 -1.201 . . . . 0.0 110.842 -176.131 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.297 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -160.15 161.38 33.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.867 0.842 . . . . 0.0 111.076 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.76 -47.92 0.87 Allowed Glycine 0 C--N 1.32 -0.344 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.35 -71.21 0.76 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.796 0.808 . . . . 0.0 110.951 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.562 ' HA3' ' OE2' ' A' ' 8' ' ' GLU . . . 113.18 77.59 0.81 Allowed Glycine 0 C--N 1.32 -0.347 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -79.88 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.906 0.86 . . . . 0.0 110.994 -174.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 101.53 2.3 Favored Glycine 0 C--N 1.32 -0.325 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -173.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.562 ' OE2' ' HA3' ' A' ' 5' ' ' GLY . 1.3 mm-40 -120.42 105.38 10.82 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.994 -0.71 . . . . 0.0 111.155 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.59 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 0.38 -103.82 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.39 0 C-N-CA 124.981 1.277 . . . . 0.0 115.109 -174.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.619 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -157.95 -177.05 6.28 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 122.233 1.016 . . . . 0.0 110.816 173.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 5.0 pt-20 -175.2 116.16 0.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.904 0.859 . . . . 0.0 111.075 -174.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.07 177.6 36.47 Favored Glycine 0 C--N 1.32 -0.333 0 CA-C-O 122.028 0.793 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.25 105.51 17.67 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.939 0.876 . . . . 0.0 110.647 173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.806 HG23 ' HG2' ' A' ' 16' ' ' ARG . 17.7 m -144.74 -169.69 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.905 0.859 . . . . 0.0 110.787 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.52 98.4 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.951 0.881 . . . . 0.0 111.01 173.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.66 172.81 8.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.508 0.671 . . . . 0.0 110.701 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.66 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -124.92 -150.6 0.45 Allowed 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.32 -0.863 . . . . 0.0 110.329 172.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -173.7 30.11 0.01 OUTLIER 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.289 -0.882 . . . . 0.0 111.954 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -178.63 140.91 0.2 Allowed 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.337 -0.852 . . . . 0.0 111.389 -173.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 1.131 ' CZ3' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -177.16 80.56 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.559 0.695 . . . . 0.0 111.287 175.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -103.03 66.9 0.93 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.019 0.914 . . . . 0.0 110.789 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 90.67 0.08 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.883 0.849 . . . . 0.0 110.903 -173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -82.43 136.75 34.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.009 0.909 . . . . 0.0 110.991 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.42 -169.13 2.5 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.8 0.809 . . . . 0.0 110.962 174.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.642 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 31.7 pttt -137.59 103.6 5.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.484 1.135 . . . . 0.0 110.919 173.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -174.19 -54.54 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.972 0.891 . . . . 0.0 110.97 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.93 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.895 0.855 . . . . 0.0 111.021 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -68.63 155.43 40.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.074 0.94 . . . . 0.0 110.929 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 58.31 75.14 0.4 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.037 0.922 . . . . 0.0 111.024 178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 mmm-85 -57.09 170.39 0.46 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.984 0.897 . . . . 0.0 110.942 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -162.04 0.35 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.6 0.714 . . . . 0.0 110.837 -176.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.931 ' CZ2' HD13 ' A' ' 98' ' ' LEU . 5.2 m0 -74.53 145.46 43.45 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.779 -0.575 . . . . 0.0 110.46 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -124.47 136.09 53.75 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.055 0.931 . . . . 0.0 111.186 -173.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -65.06 94.22 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.716 0.77 . . . . 0.0 110.218 172.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -112.78 155.97 13.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 122.109 0.957 . . . . 0.0 112.873 -172.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.503 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -97.41 79.28 2.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 124.492 2.091 . . . . 0.0 108.361 170.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 tpp -97.7 122.21 40.51 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 114.343 -1.298 . . . . 0.0 112.01 -172.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -103.68 81.17 1.86 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 171.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.012 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -152.86 179.37 8.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 124.165 1.936 . . . . 0.0 112.161 -169.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -171.47 -174.04 1.34 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 123.667 1.699 . . . . 0.0 111.27 172.281 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.049 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -47.99 -34.72 9.74 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.246 173.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -84.15 -49.29 4.78 Favored Glycine 0 C--O 1.246 0.905 0 N-CA-C 115.999 1.159 . . . . 0.0 115.999 -170.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 81.5 mtt180 -157.91 137.33 11.89 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 120.885 -1.362 . . . . 0.0 110.543 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.012 HD12 ' HB1' ' A' ' 39' ' ' ALA . 9.7 mm -101.19 152.93 4.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 123.372 1.558 . . . . 0.0 112.519 -177.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.738 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 1.3 t -136.88 117.37 13.77 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 125.269 1.427 . . . . 0.0 108.529 170.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.868 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 51.4 m-85 -111.05 133.96 53.02 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -169.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 1.7 p90 -160.03 108.83 1.74 Allowed 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.988 -0.445 . . . . 0.0 109.871 169.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -60.43 -34.08 73.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.979 1.371 . . . . 0.0 110.593 178.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.54 -154.64 0.39 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.686 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -89.27 53.91 2.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.725 0.774 . . . . 0.0 110.991 172.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.989 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -95.13 -96.38 0.17 Allowed 'General case' 0 C--O 1.257 1.449 0 O-C-N 121.519 -0.738 . . . . 0.0 110.677 -174.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -52.56 -35.1 44.31 Favored Glycine 0 N--CA 1.479 1.511 0 N-CA-C 107.226 -2.349 . . . . 0.0 107.226 171.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.27 -48.73 65.13 Favored 'General case' 0 C--O 1.253 1.278 0 CA-C-N 114.177 -1.012 . . . . 0.0 111.701 172.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -66.47 0.39 Allowed 'General case' 0 C--N 1.319 -0.725 0 O-C-N 120.508 -1.37 . . . . 0.0 111.227 173.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -63.96 1.12 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.706 0.765 . . . . 0.0 111.245 -172.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -141.19 125.86 10.61 Favored Pre-proline 0 C--N 1.32 -0.703 0 O-C-N 121.594 -0.691 . . . . 0.0 110.818 -173.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.14 5.68 0.8 Allowed 'Trans proline' 0 N--CA 1.532 3.739 1 C-N-CA 125.99 4.46 . . . . 0.0 115.704 178.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.11 -35.69 11.25 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 120.584 -1.322 . . . . 0.0 110.773 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.779 HD13 ' OE1' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -107.19 152.36 24.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.813 178.427 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.48 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -147.16 -164.98 2.13 Favored 'General case' 0 CA--C 1.509 -0.605 0 O-C-N 121.353 -0.842 . . . . 0.0 111.01 175.047 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.989 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.34 137.23 14.68 Favored 'General case' 0 C--O 1.264 1.84 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.298 172.158 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -49.48 131.96 20.83 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 120.389 1.45 . . . . 0.0 109.528 -175.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 46' ' ' PHE . . . 94.57 42.51 3.89 Favored Glycine 0 CA--C 1.553 2.44 1 N-CA-C 102.865 -4.094 . . . . 0.0 102.865 -167.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.926 ' HG3' ' HD2' ' A' ' 65' ' ' PRO 0.272 5.5 pt-20 -82.41 -128.38 0.0 OUTLIER Pre-proline 0 C--O 1.263 1.772 0 CA-C-O 116.851 -1.547 . . . . 0.0 111.45 -166.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.926 ' HD2' ' HG3' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -13.09 -114.83 0.0 OUTLIER 'Trans proline' 1 N--CA 1.538 4.126 1 C-N-CA 130.958 7.772 . . . . 0.0 118.689 -170.544 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.6 m -147.83 167.75 23.94 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 123.206 2.73 . . . . 0.0 115.512 -169.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' CD2' HD21 ' A' ' 69' ' ' LEU . 14.4 m-30 -123.22 150.3 43.59 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.029 172.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 41.7 t0 -115.99 69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 122.072 0.939 . . . . 0.0 110.525 173.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.973 ' HB3' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -94.75 62.62 2.73 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.7 14.74 4.38 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 119.047 -2.283 . . . . 0.0 110.487 169.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -93.03 -45.54 7.87 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 126.418 1.887 . . . . 0.0 113.045 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.028 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -56.3 175.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.401 1.572 . . . . 0.0 112.21 -172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.32 -150.16 0.46 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.718 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.935 HD11 ' HB3' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -155.8 159.44 2.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 122.78 1.276 . . . . 0.0 111.432 175.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 16.8 tt0 -167.67 159.65 12.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.83 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 86' ' ' VAL . 3.3 mp -116.12 157.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.755 0.788 . . . . 0.0 110.851 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.811 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . -57.12 173.76 0.21 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.72 0.771 . . . . 0.0 110.984 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 t -164.59 -46.67 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.605 -0.684 . . . . 0.0 111.623 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -93.45 -28.02 16.36 Favored 'General case' 0 C--O 1.246 0.87 0 O-C-N 121.637 -0.664 . . . . 0.0 111.912 -173.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -67.61 -172.76 0.27 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.234 1.016 . . . . 0.0 111.489 -173.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.98 -44.67 1.04 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.003 0.906 . . . . 0.0 110.966 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -53.48 4.39 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.833 1.302 . . . . 0.0 110.891 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 22.7 mttt -74.69 2.65 9.44 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.333 -0.848 . . . . 0.0 113.078 173.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -78.94 18.65 0.6 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.155 1.455 . . . . 0.0 114.363 173.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.659 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 95.6 m-70 -127.13 36.08 4.48 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 123.952 1.834 . . . . 0.0 109.188 171.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.7 p -116.38 156.07 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 114.442 -1.253 . . . . 0.0 111.565 -172.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -123.74 152.85 41.68 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 172.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.876 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -153.94 132.23 11.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.059 0.933 . . . . 0.0 112.53 -173.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.813 HG11 ' HA ' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -101.95 148.53 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.536 0.684 . . . . 0.0 110.334 172.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.39 104.85 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.955 0.883 . . . . 0.0 111.462 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.028 HD23 ' CB ' ' A' ' 72' ' ' ALA . 4.0 mt -63.38 170.7 2.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.985 0.898 . . . . 0.0 111.045 173.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.21 -32.7 56.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.69 0.757 . . . . 0.0 111.109 173.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -66.98 -20.87 65.96 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 121.693 -0.629 . . . . 0.0 111.514 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.3 7.23 Favored Glycine 0 C--O 1.242 0.618 0 O-C-N 121.087 -1.008 . . . . 0.0 111.779 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.24 142.74 3.69 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.538 -0.978 . . . . 0.0 111.556 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -140.42 138.53 34.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.098 0.951 . . . . 0.0 110.86 173.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -124.8 92.15 3.59 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.506 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.131 HD12 ' CZ3' ' A' ' 20' ' ' TRP . 4.1 mt -80.76 151.42 28.83 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.227 0.537 . . . . 0.0 110.713 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -134.98 115.05 13.1 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.458 -0.776 . . . . 0.0 111.492 -176.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -108.69 91.7 3.75 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.745 -0.597 . . . . 0.0 111.323 173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.49 161.02 27.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 123.143 1.449 . . . . 0.0 111.967 -171.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -40.72 13.22 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.642 -172.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 1.4 m-20 -80.66 -35.36 33.89 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 120.912 -1.118 . . . . 0.0 112.443 -171.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 3.0 t0 89.41 -29.07 0.04 OUTLIER 'General case' 0 C--O 1.247 0.924 0 C-N-CA 124.746 1.218 . . . . 0.0 110.656 -172.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -32.54 26.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.692 1.234 . . . . 0.0 110.331 172.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.62 -27.28 34.24 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.201 1.001 . . . . 0.0 109.055 173.068 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.659 ' SD ' ' HB3' ' A' ' 85' ' ' HIS . 54.7 ttm -51.58 -54.58 26.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.393 1.092 . . . . 0.0 111.14 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.2 OUTLIER -67.93 -50.71 54.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.433 -0.792 . . . . 0.0 110.75 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 23.3 mm-40 -47.65 -38.48 14.94 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.528 174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.814 ' HB3' HD11 ' A' ' 87' ' ' LEU . 29.0 m95 -59.19 -50.93 72.15 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 120.658 -1.276 . . . . 0.0 110.694 173.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.947 ' HA ' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -57.0 -50.6 75.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 122.846 1.308 . . . . 0.0 111.25 -178.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -49.06 75.45 Favored 'General case' 0 C--O 1.262 1.72 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.671 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -33.63 71.11 Favored 'General case' 0 C--N 1.318 -0.773 0 O-C-N 120.043 -1.66 . . . . 0.0 110.331 -172.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.012 HD11 HD11 ' A' ' 99' ' ' LEU . 1.1 mt -63.4 -42.25 98.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 122.045 0.926 . . . . 0.0 110.718 172.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.924 ' HA ' HD12 ' A' ' 74' ' ' ILE . 24.0 ttpt -56.32 -56.96 14.57 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.954 0.883 . . . . 0.0 110.81 -174.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.03 -28.11 67.47 Favored 'General case' 0 C--O 1.242 0.661 0 O-C-N 121.79 -0.569 . . . . 0.0 111.835 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' NE2' ' HG3' ' A' ' 40' ' ' LYS . 17.6 mm100 -77.82 -59.46 2.77 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 -172.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 1.049 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.5 -33.5 1.13 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.434 1.112 . . . . 0.0 111.247 -173.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -105.09 156.36 18.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.31 1.052 . . . . 0.0 111.078 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -98.39 151.58 20.4 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.95 0.881 . . . . 0.0 111.071 174.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 p -159.79 139.93 11.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.944 0.878 . . . . 0.0 111.043 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.223 0 CA-C-O 121.938 0.875 . . . . 0.0 111.022 174.278 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.278 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.12 179.84 0.2 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.892 0.853 . . . . 0.0 111.009 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.78 1.27 Allowed Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.557 HG22 ' N ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -62.64 -75.3 0.08 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.99 0.9 . . . . 0.0 110.943 176.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 4' ' ' THR . . . -173.3 75.4 0.09 OUTLIER Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.41 -48.41 34.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.999 0.904 . . . . 0.0 110.844 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.06 48.76 5.9 Favored Glycine 0 C--N 1.32 -0.313 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -139.3 -165.36 1.84 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 121.84 -0.8 . . . . 0.0 111.759 -173.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.647 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -59.36 -154.1 0.01 OUTLIER Glycine 0 CA--C 1.522 0.478 0 CA-C-O 124.314 2.064 . . . . 0.0 113.449 173.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.9 OUTLIER -132.2 157.14 45.1 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 113.713 -1.244 . . . . 0.0 109.894 172.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.06 115.44 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.026 0.917 . . . . 0.0 111.052 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.95 168.99 26.82 Favored Glycine 0 N--CA 1.462 0.395 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -173.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -98.91 89.48 4.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 123.074 1.416 . . . . 0.0 110.634 173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.025 HG11 ' HB2' ' A' ' 101' ' ' ALA . 11.3 m -126.63 -179.26 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.882 0.849 . . . . 0.0 111.139 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.582 HG23 ' HB3' ' A' ' 32' ' ' TRP . 1.1 m -87.41 81.15 7.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 123.772 1.749 . . . . 0.0 108.61 171.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.542 ' NH1' ' HB3' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -85.41 150.44 24.72 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.941 -172.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.973 ' HB3' ' HB2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -122.46 150.15 42.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.918 172.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.505 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -140.52 173.93 11.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 122.061 0.934 . . . . 0.0 111.194 -173.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.887 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 1.7 tm-20 -30.7 101.46 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.38 1.086 . . . . 0.0 112.555 173.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' H ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -77.56 146.31 36.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.132 178.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -160.4 1.04 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.007 0.908 . . . . 0.0 111.187 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 78.03 156.78 0.17 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.964 0.888 . . . . 0.0 110.915 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.9 m -72.7 154.38 40.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.97 0.89 . . . . 0.0 110.95 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.15 125.77 28.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.827 0.822 . . . . 0.0 111.016 -176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.61 88.77 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.899 0.857 . . . . 0.0 110.906 -176.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 34.0 mttt -56.44 99.68 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.872 0.844 . . . . 0.0 111.042 -173.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' LYS . . . -177.42 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.781 0.801 . . . . 0.0 111.127 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.09 153.36 1.94 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.745 0.783 . . . . 0.0 110.912 176.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -141.25 165.51 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 122.235 1.017 . . . . 0.0 111.446 -173.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 64.03 -111.92 0.32 Allowed 'General case' 0 C--O 1.253 1.289 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.706 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 85.36 -19.94 0.3 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 120.383 1.447 . . . . 0.0 112.627 172.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.778 ' CH2' HG21 ' A' ' 86' ' ' VAL . 30.6 m95 -63.22 139.05 58.73 Favored 'General case' 0 C--O 1.247 0.947 0 O-C-N 121.482 -0.762 . . . . 0.0 109.726 172.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 3.1 t0 -128.72 133.29 48.11 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 122.158 0.98 . . . . 0.0 111.074 -174.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.41 104.65 6.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.875 0.845 . . . . 0.0 110.968 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -139.4 174.43 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.58 0.705 . . . . 0.0 111.246 -174.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.2 m-85 -99.12 83.78 2.93 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 123.489 1.614 . . . . 0.0 110.172 172.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.414 ' HG3' ' HG3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -85.94 118.01 25.15 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.743 -174.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.15 87.18 2.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.528 0.68 . . . . 0.0 110.352 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.971 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -159.33 -176.27 5.71 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 122.539 1.161 . . . . 0.0 111.42 -172.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.647 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.7 -98.47 0.01 OUTLIER 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.412 171.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.791 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -152.82 37.52 0.51 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 124.318 2.009 . . . . 0.0 109.75 -171.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.685 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -156.33 -40.97 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 8.1 mtt-85 -160.01 130.14 5.44 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.364 0.666 . . . . 0.0 110.432 171.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -95.82 145.57 8.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 122.094 0.949 . . . . 0.0 111.465 175.156 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 1.2 t -145.44 115.33 7.36 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.18 173.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.736 ' O ' HG21 ' A' ' 60' ' ' THR . 16.3 m-30 -109.44 140.9 42.6 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -172.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 36' ' ' TYR . 20.8 p90 -160.28 131.42 5.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.494 170.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' PHE . 0.2 OUTLIER -76.01 -39.62 55.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.914 1.34 . . . . 0.0 110.887 179.487 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -155.39 0.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.516 173.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HB3' ' HG3' ' A' ' 54' ' ' LYS . 8.5 mt-30 -90.4 54.41 2.74 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 122.772 1.272 . . . . 0.0 111.43 172.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.713 ' HD3' ' N ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -91.78 -96.87 0.12 Allowed 'General case' 0 C--O 1.255 1.355 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.166 -174.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.739 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -54.88 -38.14 64.12 Favored Glycine 0 N--CA 1.479 1.538 0 N-CA-C 106.499 -2.64 . . . . 0.0 106.499 170.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.54 -49.1 10.2 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.101 -1.049 . . . . 0.0 111.671 173.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HG3' ' HB3' ' A' ' 50' ' ' GLN . 10.9 mttt -51.09 -61.26 2.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.51 1.148 . . . . 0.0 110.228 173.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -74.61 0.13 Allowed 'General case' 0 CA--C 1.511 -0.542 0 CA-C-O 122.172 0.986 . . . . 0.0 110.932 -174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.9 m120 -117.3 128.98 25.65 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.468 -173.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.32 -24.29 23.09 Favored 'Trans proline' 0 N--CA 1.529 3.565 1 C-N-CA 126.185 4.59 . . . . 0.0 115.182 -175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.91 20.98 9.18 Favored 'General case' 0 C--O 1.246 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 111.82 173.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 18.5 mt -152.69 78.47 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.172 -0.955 . . . . 0.0 111.188 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.736 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -80.75 -161.75 0.41 Allowed 'General case' 0 C--O 1.249 1.067 0 O-C-N 121.796 -0.565 . . . . 0.0 110.787 173.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.713 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.55 146.72 3.91 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.005 171.583 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -53.19 -10.1 0.19 Allowed 'General case' 0 C--O 1.262 1.714 0 CA-C-N 121.364 1.893 . . . . 0.0 113.127 -170.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 61' ' ' PHE . . . -93.27 51.1 2.44 Favored Glycine 0 CA--C 1.548 2.102 0 N-CA-C 105.532 -3.027 . . . . 0.0 105.532 168.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.729 ' OE2' HD23 ' A' ' 59' ' ' LEU . 12.0 pt-20 -80.67 -29.75 0.55 Allowed Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 -170.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -40.64 171.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.234 1 C-N-CA 130.519 7.48 . . . . 0.0 117.655 -173.17 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 28.4 m -141.25 151.02 43.36 Favored 'General case' 0 C--O 1.25 1.123 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.235 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.6 m-85 -146.97 101.73 3.45 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.997 -1.064 . . . . 0.0 112.498 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -59.04 90.03 0.01 OUTLIER 'General case' 0 C--O 1.246 0.901 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.203 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 44' ' ' ILE . 12.5 mt -104.14 29.22 6.11 Favored 'General case' 0 C--O 1.279 2.625 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.9 -1.41 1.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 122.43 2.377 . . . . 0.0 110.833 169.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.18 -63.53 1.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 127.276 2.23 . . . . 0.0 111.989 170.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.697 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -46.71 161.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.717 1.722 . . . . 0.0 112.994 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.639 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . . . -102.69 -164.19 1.06 Allowed 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.18 -175.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 118' ' ' SER . 83.4 mt -130.84 138.96 52.34 Favored 'Isoleucine or valine' 0 C--O 1.247 0.953 0 O-C-N 121.888 -0.508 . . . . 0.0 111.089 -173.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -170.11 170.56 7.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.625 1.202 . . . . 0.0 111.493 173.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.21 142.77 31.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.122 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.57 124.65 7.3 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.823 0.821 . . . . 0.0 111.54 -173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.5 46.85 0.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.163 0.983 . . . . 0.0 110.862 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -179.58 83.3 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.849 0.833 . . . . 0.0 110.85 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.788 ' CZ ' ' HG3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -142.84 164.59 29.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 123.142 1.449 . . . . 0.0 111.91 -173.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -106.27 -51.2 3.0 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 123.784 1.754 . . . . 0.0 109.417 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -148.79 25.42 0.94 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.356 171.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 21.3 mttp -91.98 5.35 50.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 122.276 1.036 . . . . 0.0 111.791 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.788 ' HG3' ' CZ ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -64.54 4.8 0.35 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 172.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -99.28 34.16 2.24 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 123.378 1.561 . . . . 0.0 109.604 171.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.822 ' C ' HD23 ' A' ' 87' ' ' LEU . 1.4 p -130.34 173.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 122.483 1.135 . . . . 0.0 111.521 -172.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.888 HD13 ' HB ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -160.1 145.79 15.35 Favored 'General case' 0 C--O 1.261 1.707 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.523 -173.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.912 ' NH1' HD23 ' A' ' 96' ' ' LEU . 9.4 ptt85 -156.44 149.89 24.53 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 120.84 1.654 . . . . 0.0 113.167 -172.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.6 HG12 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -107.78 116.05 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.271 172.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.658 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -80.31 164.86 22.84 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.278 1.037 . . . . 0.0 111.536 -173.137 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.697 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -124.91 168.09 13.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.696 0.76 . . . . 0.0 111.026 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.49 -35.82 53.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.911 0.862 . . . . 0.0 111.056 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.47 -26.87 68.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.573 0.702 . . . . 0.0 111.183 -176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.98 -38.85 1.79 Allowed Glycine 0 N--CA 1.462 0.382 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.887 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -74.34 178.06 5.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.699 0.761 . . . . 0.0 111.04 -173.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.912 HD23 ' NH1' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -151.79 175.58 12.29 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.5 -0.75 . . . . 0.0 111.313 -173.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.903 ' CZ ' HD11 ' A' ' 69' ' ' LEU . 12.8 m-85 -133.94 92.71 2.99 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.482 -0.761 . . . . 0.0 110.776 173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.977 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.71 163.1 25.7 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.153 0.501 . . . . 0.0 110.966 -178.434 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -133.0 118.89 19.38 Favored 'General case' 0 C--O 1.26 1.617 0 O-C-N 121.188 -0.945 . . . . 0.0 110.826 174.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -114.05 61.78 0.66 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 120.517 1.508 . . . . 0.0 112.515 172.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.025 ' HB2' HG11 ' A' ' 14' ' ' VAL . . . -79.33 105.08 10.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.207 1.003 . . . . 0.0 110.943 174.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -90.15 37.88 0.91 Allowed 'General case' 0 C--O 1.25 1.099 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.375 -172.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . 0.4 OUTLIER -87.12 -24.3 24.58 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 120.926 -1.109 . . . . 0.0 110.887 172.289 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 103' ' ' ASP . 2.7 m-20 89.97 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 125.373 1.469 . . . . 0.0 109.722 -172.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.1 m -71.57 -51.01 25.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.23 1.014 . . . . 0.0 108.606 172.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.824 ' HG3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -43.62 -43.85 5.96 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 114.872 -1.058 . . . . 0.0 113.266 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -59.67 4.26 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.993 0.901 . . . . 0.0 111.346 -170.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -59.1 4.28 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 121.736 -0.602 . . . . 0.0 111.04 175.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.31 -27.15 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 121.093 -1.004 . . . . 0.0 111.776 -175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.951 ' HB3' HD12 ' A' ' 99' ' ' LEU . 12.4 m95 -71.57 -56.38 5.98 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.503 -0.748 . . . . 0.0 110.473 173.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HB ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -57.33 -33.07 42.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 123.4 1.571 . . . . 0.0 111.641 -177.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -38.6 65.66 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.673 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -34.92 79.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 123.393 1.568 . . . . 0.0 110.375 172.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 99' ' ' LEU . 2.4 mt -70.12 -42.61 72.39 Favored 'General case' 0 CA--C 1.51 -0.589 0 C-N-CA 124.123 0.969 . . . . 0.0 110.907 177.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 1.9 tptt -62.9 -33.83 76.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.82 0.819 . . . . 0.0 110.897 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.44 -31.48 57.88 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 111.282 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.9 -55.57 3.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.844 0.831 . . . . 0.0 111.278 -177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.791 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.2 OUTLIER -49.17 154.86 0.74 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.319 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -135.53 111.7 9.67 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.295 -1.503 . . . . 0.0 110.567 171.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.421 ' C ' HG23 ' A' ' 121' ' ' THR . 22.6 t -114.51 138.45 50.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.098 0.951 . . . . 0.0 111.713 -173.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 120' ' ' SER . 0.4 OUTLIER 66.03 142.58 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.779 1.276 . . . . 0.0 110.945 -177.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.269 2.104 0 CA-C-O 121.982 0.896 . . . . 0.0 111.053 -173.445 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.285 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.86 74.25 0.21 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.96 0.886 . . . . 0.0 111.006 -178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.57 70.16 0.9 Allowed Glycine 0 C--N 1.32 -0.354 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -114.57 113.65 24.68 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.761 0.791 . . . . 0.0 110.93 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.85 86.16 1.39 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.0 -50.56 6.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.96 0.886 . . . . 0.0 110.979 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.06 -97.44 1.26 Allowed Glycine 0 C--N 1.32 -0.324 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.95 -137.33 0.35 Allowed 'General case' 0 C--O 1.25 1.115 0 O-C-N 122.119 -0.636 . . . . 0.0 110.678 -173.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 40' ' ' LYS . . . -54.16 -166.37 0.02 OUTLIER Glycine 0 CA--C 1.523 0.549 0 CA-C-O 124.693 2.274 . . . . 0.0 115.338 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.621 ' HB3' ' CZ3' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -108.3 154.71 21.41 Favored 'General case' 0 C--O 1.256 1.414 0 O-C-N 121.302 -1.117 . . . . 0.0 109.86 -172.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -135.8 135.42 39.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.736 1.255 . . . . 0.0 112.243 -173.002 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.46 154.38 25.39 Favored Glycine 0 C--O 1.237 0.29 0 CA-C-O 122.384 0.991 . . . . 0.0 111.615 -175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 103.08 14.96 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 121.984 -0.716 . . . . 0.0 110.485 172.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 15' ' ' THR . 2.0 m -155.86 -162.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 122.743 1.259 . . . . 0.0 112.554 -172.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 14' ' ' VAL . 1.9 m -104.29 103.11 12.81 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.53 -1.213 . . . . 0.0 111.744 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.719 HH12 HD13 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -118.53 157.96 26.29 Favored 'General case' 0 C--O 1.248 1.021 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.575 174.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.857 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -117.18 76.74 1.06 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.983 1.849 . . . . 0.0 110.935 173.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' GLU . 25.4 p80 -59.84 157.15 12.82 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 121.027 -1.046 . . . . 0.0 111.206 -175.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.811 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -9.8 113.12 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 126.981 2.112 . . . . 0.0 114.211 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.857 ' CZ3' ' HB2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -82.85 85.55 7.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.638 0.732 . . . . 0.0 111.058 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -169.72 158.26 7.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.806 0.813 . . . . 0.0 111.186 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.46 146.43 0.06 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 122.755 1.264 . . . . 0.0 111.527 173.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 49.31 56.82 7.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.149 0.976 . . . . 0.0 110.95 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.415 ' C ' ' HG2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -163.53 127.07 2.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.738 0.78 . . . . 0.0 110.949 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.415 ' HG2' ' C ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -134.3 33.63 3.32 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.559 0.695 . . . . 0.0 111.349 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt 54.48 59.07 4.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.084 0.945 . . . . 0.0 110.978 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.41 -70.6 0.72 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.895 0.855 . . . . 0.0 110.994 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -118.49 114.3 22.65 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.812 0.815 . . . . 0.0 110.982 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -60.38 97.41 0.05 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.849 0.833 . . . . 0.0 111.0 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -90.41 -38.04 13.57 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.73 0.776 . . . . 0.0 111.477 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 78.13 -152.0 0.02 OUTLIER 'General case' 0 C--O 1.247 0.964 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.739 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CH2' HG21 ' A' ' 86' ' ' VAL . 11.4 m0 -61.86 154.99 24.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 121.014 -1.053 . . . . 0.0 110.726 -175.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.54 157.23 25.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.857 0.837 . . . . 0.0 110.98 -174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -101.63 113.32 26.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.557 0.694 . . . . 0.0 110.866 173.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.934 HG21 ' HE3' ' A' ' 37' ' ' MET . 0.3 OUTLIER -137.12 165.81 26.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 123.407 1.575 . . . . 0.0 112.065 -173.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.482 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -101.6 87.07 3.08 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.629 173.08 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.934 ' HE3' HG21 ' A' ' 35' ' ' VAL . 1.3 mtp -98.0 175.31 6.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 123.953 1.835 . . . . 0.0 112.722 -172.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -159.35 64.75 0.39 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.052 -173.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.082 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -157.05 172.92 17.82 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.286 -169.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.847 ' CB ' HD22 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -167.91 -70.96 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 O-C-N 120.868 -1.145 . . . . 0.0 111.636 167.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.861 ' HB1' ' CA ' ' A' ' 118' ' ' SER . . . -158.76 39.18 0.23 Allowed 'General case' 0 C--O 1.243 0.759 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -171.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.518 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -152.94 -43.12 0.02 OUTLIER Glycine 0 N--CA 1.47 0.958 0 N-CA-C 108.492 -1.843 . . . . 0.0 108.492 174.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 6.8 mtt180 -158.43 137.87 11.77 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.621 -0.79 . . . . 0.0 110.68 172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.082 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -105.41 153.36 7.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 122.642 1.21 . . . . 0.0 111.765 -177.164 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.592 ' H ' ' HB2' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -145.64 116.94 7.93 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.053 172.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.711 ' O ' HG21 ' A' ' 60' ' ' THR . 9.9 m-30 -110.76 141.41 44.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -171.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.49 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -160.07 117.49 2.57 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 121.58 -0.7 . . . . 0.0 111.443 170.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.849 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 5.3 mttm -55.92 -41.2 74.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 123.1 1.429 . . . . 0.0 110.424 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -155.46 -157.07 0.71 Allowed 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.33 173.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.2 mm-40 -71.8 -15.41 62.15 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.24 -0.912 . . . . 0.0 112.055 173.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.747 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -39.92 -66.09 0.34 Allowed 'General case' 0 C--O 1.245 0.834 0 C-N-CA 125.12 1.368 . . . . 0.0 114.241 -173.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -62.1 -55.19 29.41 Favored Glycine 0 N--CA 1.47 0.924 0 N-CA-C 108.926 -1.67 . . . . 0.0 108.926 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.0 m-85 -42.13 -33.25 0.56 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.214 1.007 . . . . 0.0 111.681 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.5 OUTLIER -64.48 -53.49 47.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 110.809 -177.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -66.08 0.62 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.85 0.833 . . . . 0.0 111.015 176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -129.14 146.1 59.4 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-O 121.785 0.803 . . . . 0.0 110.91 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.22 -27.25 16.81 Favored 'Trans proline' 0 N--CA 1.529 3.596 1 C-N-CA 126.18 4.587 . . . . 0.0 115.135 177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 59' ' ' LEU . 1.2 pt-20 -91.93 -18.34 23.88 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 121.387 -0.821 . . . . 0.0 111.613 176.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 58' ' ' GLU . 1.4 mt -116.5 95.18 4.93 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.135 -0.978 . . . . 0.0 111.523 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.724 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -80.54 -158.73 0.2 Allowed 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.636 173.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.849 ' CE2' ' HE2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -52.68 149.49 6.04 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 171.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.3 mtp85 -52.73 -12.9 0.34 Allowed 'General case' 0 C--O 1.26 1.609 0 CA-C-N 121.009 1.731 . . . . 0.0 113.153 -171.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -92.81 55.4 2.62 Favored Glycine 0 CA--C 1.547 2.055 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 168.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.915 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 5.2 pt-20 -85.6 -39.2 0.6 Allowed Pre-proline 0 C--O 1.252 1.197 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -169.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.915 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 22.9 Cg_exo -27.78 165.17 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.696 1 C-N-CA 130.079 7.186 . . . . 0.0 119.052 -173.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.8 m -136.18 138.61 42.11 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 113.612 -1.631 . . . . 0.0 110.765 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' CG ' HD21 ' A' ' 69' ' ' LEU . 62.8 m-85 -115.91 174.09 6.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 123.03 1.395 . . . . 0.0 111.296 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 9.6 t70 -128.5 68.11 1.37 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.814 1.292 . . . . 0.0 108.585 171.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.944 HD12 HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.79 65.71 5.87 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -169.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.78 23.97 3.37 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 119.788 -1.82 . . . . 0.0 109.673 169.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.97 -36.13 4.87 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 126.125 1.77 . . . . 0.0 112.398 -171.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 89' ' ' VAL . . . -66.37 162.19 20.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 123.437 1.589 . . . . 0.0 112.132 -172.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.694 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -98.17 -162.68 0.97 Allowed 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.949 174.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.65 HD11 ' HB3' ' A' ' 118' ' ' SER . 6.8 mt -143.15 145.71 22.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.555 . . . . 0.0 111.173 -174.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -169.08 173.42 6.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.747 1.26 . . . . 0.0 112.076 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.7 mt -121.11 93.7 2.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.059 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 86' ' ' VAL . . . 50.07 -159.47 0.07 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.743 0.782 . . . . 0.0 111.294 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 177.7 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.316 1.055 . . . . 0.0 111.158 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -133.34 71.51 1.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.776 1.274 . . . . 0.0 110.59 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 1.118 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 34.7 p90 -94.92 165.03 12.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 123.949 1.833 . . . . 0.0 113.11 -172.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 t -146.48 80.24 1.55 Allowed 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 125.67 1.588 . . . . 0.0 108.641 171.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.56 26.44 1.94 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 123.54 1.638 . . . . 0.0 109.498 -169.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.463 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 10.5 mttm -119.13 3.97 11.38 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 125.681 1.592 . . . . 0.0 111.493 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 1.118 ' HG2' ' CE2' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -69.11 10.91 0.25 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 173.272 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -111.81 35.74 3.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 123.107 1.432 . . . . 0.0 109.568 171.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.869 HG12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 p -123.58 148.25 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.546 -172.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD12 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -110.46 157.32 19.72 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.181 171.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.636 ' HG3' HD22 ' A' ' 98' ' ' LEU . 7.4 ttp180 -157.55 120.32 3.91 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 120.812 -1.18 . . . . 0.0 113.55 -171.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -104.48 123.4 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 121.306 -0.871 . . . . 0.0 109.41 171.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 12.1 tttm -102.22 141.84 34.42 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.668 1.223 . . . . 0.0 112.059 -172.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 69' ' ' LEU . 7.1 mt -97.54 -177.07 3.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.176 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.55 -10.43 15.24 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.891 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.489 HD22 HD13 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -73.84 -25.08 59.89 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.089 -1.007 . . . . 0.0 111.376 175.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 136.9 -43.45 1.23 Allowed Glycine 0 N--CA 1.464 0.51 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -75.48 146.31 40.72 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.816 0.817 . . . . 0.0 110.951 -174.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.94 169.66 14.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.016 0.912 . . . . 0.0 110.911 -176.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.768 ' CE2' HD13 ' A' ' 69' ' ' LEU . 46.0 m-85 -130.16 88.79 2.7 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.038 -173.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.891 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -78.84 153.86 30.29 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.225 0.536 . . . . 0.0 110.816 174.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.891 HD23 ' C ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -139.63 111.56 7.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.528 0.68 . . . . 0.0 112.424 -178.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -106.15 89.34 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.631 0.729 . . . . 0.0 109.336 171.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -79.75 -165.18 0.76 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.274 1.511 . . . . 0.0 112.621 -171.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -89.2 0.09 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.043 -172.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.62 -149.99 0.22 Allowed 'General case' 0 C--N 1.319 -0.743 0 O-C-N 121.077 -1.014 . . . . 0.0 110.96 -171.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -97.24 -23.68 16.05 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.433 0.635 . . . . 0.0 110.313 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.2 m -68.21 -65.9 0.64 Allowed 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.688 0.756 . . . . 0.0 109.37 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.95 -38.85 4.99 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.923 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -57.96 -44.26 86.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 123.141 1.448 . . . . 0.0 110.23 -171.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 112' ' ' THR . 0.7 OUTLIER -92.01 -17.75 24.64 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.822 -178.788 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HA ' ' OG1' ' A' ' 112' ' ' THR . 11.7 mm-40 -73.22 -29.78 63.04 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 123.12 1.438 . . . . 0.0 110.896 174.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.683 ' HE3' HD21 ' A' ' 114' ' ' LEU . 49.2 m95 -77.58 -34.31 53.65 Favored 'General case' 0 CA--C 1.506 -0.713 0 C-N-CA 125.687 1.595 . . . . 0.0 111.364 172.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.619 ' HA ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -71.53 -39.68 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 CA-C-O 122.583 1.183 . . . . 0.0 110.451 175.513 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 108' ' ' SER . 77.1 p -70.27 -46.2 64.85 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.454 173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.469 ' HB3' ' HD2' ' A' ' 40' ' ' LYS . 22.8 m -53.09 -58.06 8.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 123.613 1.673 . . . . 0.0 108.536 173.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.847 HD22 ' CB ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -63.19 -30.92 71.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.174 -174.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -66.95 -40.93 87.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.777 0.799 . . . . 0.0 110.906 178.605 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.11 -49.18 53.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.916 0.865 . . . . 0.0 111.008 -175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.553 ' HG3' ' CE ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -59.47 -60.31 4.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.623 0.725 . . . . 0.0 111.152 -179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.861 ' CA ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -49.49 158.36 0.43 Allowed 'General case' 0 C--O 1.259 1.563 0 C-N-CA 123.556 0.742 . . . . 0.0 110.294 -173.473 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -51.31 19.96 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 120.187 -1.571 . . . . 0.0 111.443 -173.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 t 64.74 129.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 123.197 1.475 . . . . 0.0 111.298 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 51.2 p -126.18 41.37 3.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.202 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 121' ' ' THR . . . . . . . . 0 C--O 1.269 2.13 0 CA-C-O 122.096 0.95 . . . . 0.0 110.95 174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.26 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -134.34 164.66 26.91 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.913 0.863 . . . . 0.0 110.981 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.44 -47.52 2.34 Favored Glycine 0 C--N 1.321 -0.276 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.855 ' CG2' ' HA2' ' A' ' 7' ' ' GLY . 24.6 m -153.23 101.78 2.57 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.902 0.858 . . . . 0.0 110.981 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.9 -65.98 1.33 Allowed Glycine 0 C--N 1.321 -0.299 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.59 -38.54 39.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.885 0.85 . . . . 0.0 111.071 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.855 ' HA2' ' CG2' ' A' ' 4' ' ' THR . . . 90.01 -156.22 25.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 121.939 0.744 . . . . 0.0 111.322 175.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.41 -164.15 0.95 Allowed 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.057 -0.673 . . . . 0.0 110.939 -173.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . 2.44 -133.39 0.0 OUTLIER Glycine 0 C--O 1.243 0.672 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 -171.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' HB3' ' CE3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -141.14 178.86 7.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 O-C-N 120.761 -1.435 . . . . 0.0 111.1 -177.191 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HG2' ' C ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -171.69 124.06 0.55 Allowed 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.003 -175.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.75 -144.54 3.98 Favored Glycine 0 C--N 1.319 -0.377 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.51 102.84 4.42 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.808 173.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.653 HG22 ' SD ' ' A' ' 37' ' ' MET . 3.1 m -146.28 -163.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 122.627 1.203 . . . . 0.0 111.418 -173.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.483 HG22 ' HE3' ' A' ' 32' ' ' TRP . 1.2 m -98.55 136.68 38.3 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.637 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.01 159.48 40.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.793 0.806 . . . . 0.0 110.623 -174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.879 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -144.02 106.51 4.42 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.575 0.702 . . . . 0.0 110.493 174.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.641 ' CG ' ' CZ ' ' A' ' 46' ' ' PHE . 3.4 p-80 -105.37 43.86 1.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.428 -0.795 . . . . 0.0 111.938 -172.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 6.4 pt-20 179.92 146.42 0.23 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.029 0.919 . . . . 0.0 112.029 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.879 ' CZ3' ' HB3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -174.9 58.45 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 122.494 1.14 . . . . 0.0 110.554 172.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -128.3 141.07 51.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.947 0.88 . . . . 0.0 110.975 -176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.38 -162.68 0.13 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.963 0.887 . . . . 0.0 111.027 173.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -78.47 120.74 23.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.805 0.812 . . . . 0.0 111.057 173.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.8 p -86.12 130.56 34.49 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.853 0.835 . . . . 0.0 111.002 -175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 5.0 ptpt -97.85 -164.28 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.783 0.802 . . . . 0.0 111.04 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER 73.28 138.9 0.06 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.924 0.869 . . . . 0.0 110.932 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.48 41.97 1.41 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.945 0.878 . . . . 0.0 110.991 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -114.23 125.68 54.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.765 0.793 . . . . 0.0 111.001 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 m120 53.82 -169.06 0.06 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.491 0.663 . . . . 0.0 110.806 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -148.07 -55.54 0.21 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.93 0.871 . . . . 0.0 111.222 -174.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.81 -150.54 0.38 Allowed 'General case' 0 C--O 1.246 0.889 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.752 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.769 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 5.3 m0 -61.63 133.36 55.54 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 121.174 -0.954 . . . . 0.0 110.321 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.87 136.11 38.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 122.085 0.945 . . . . 0.0 111.623 -173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -84.97 124.44 31.68 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 173.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -160.09 176.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 122.387 1.089 . . . . 0.0 111.879 -172.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 4.9 m-30 -94.08 89.99 6.23 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 123.132 1.444 . . . . 0.0 110.459 172.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.653 ' SD ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -83.71 144.98 29.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 123.212 1.482 . . . . 0.0 111.699 -173.308 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -138.65 75.14 1.5 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.013 171.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.625 ' HB1' HG13 ' A' ' 44' ' ' ILE . . . -153.6 -178.68 7.18 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 123.175 1.464 . . . . 0.0 112.181 -170.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.537 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -170.83 -166.41 0.49 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.432 173.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.862 ' HB1' ' CB ' ' A' ' 118' ' ' SER . . . -59.41 -32.85 70.56 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.625 1.202 . . . . 0.0 110.798 172.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' N ' ' HB3' ' A' ' 117' ' ' GLN . . . -68.85 -84.04 0.14 Allowed Glycine 0 C--O 1.239 0.428 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.706 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 8.4 mtm-85 -136.31 137.99 41.24 Favored 'General case' 0 C--O 1.245 0.859 0 O-C-N 121.578 -0.954 . . . . 0.0 111.176 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG21 ' CE2' ' A' ' 46' ' ' PHE . 1.4 mp -95.11 153.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 123.181 1.467 . . . . 0.0 112.251 -172.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.626 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 3.4 m -155.76 107.81 2.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.799 172.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 44' ' ' ILE . 12.1 m-85 -105.74 144.89 31.84 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -171.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.938 ' HB3' HG21 ' A' ' 60' ' ' THR . 4.4 p90 -160.17 143.36 13.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.555 170.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 35' ' ' VAL . 1.8 mtpp -66.39 -69.6 0.29 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 123.249 1.499 . . . . 0.0 110.231 173.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.18 -144.6 0.17 Allowed 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.271 172.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' H ' ' HG3' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -89.43 59.09 4.66 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.062 -1.024 . . . . 0.0 110.638 172.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.006 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -107.17 -64.81 1.15 Allowed 'General case' 0 C--O 1.251 1.14 0 O-C-N 121.516 -0.74 . . . . 0.0 111.963 -171.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.829 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.37 -41.21 96.66 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 105.191 -3.164 . . . . 0.0 105.191 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.664 ' CD1' HG22 ' A' ' 60' ' ' THR . 4.7 m-30 -50.86 -43.56 59.38 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 112.95 -1.625 . . . . 0.0 109.921 171.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.41 -58.29 2.65 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.932 0.872 . . . . 0.0 110.902 171.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.44 -87.53 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 175.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -107.26 137.62 19.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.693 0.758 . . . . 0.0 111.074 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.651 ' HG2' ' OE1' ' A' ' 58' ' ' GLU . 96.4 Cg_endo -68.98 -5.44 15.73 Favored 'Trans proline' 0 N--CA 1.53 3.627 1 C-N-CA 126.137 4.558 . . . . 0.0 115.819 -174.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.651 ' OE1' ' HG2' ' A' ' 57' ' ' PRO . 1.6 pm0 -118.5 -33.59 4.27 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 120.765 -1.209 . . . . 0.0 111.232 177.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.491 HD23 ' N ' ' A' ' 59' ' ' LEU . 2.3 mt -94.64 111.29 23.06 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.682 -0.636 . . . . 0.0 110.976 177.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.938 HG21 ' HB3' ' A' ' 47' ' ' TYR . 7.5 p -100.75 -105.45 0.24 Allowed 'General case' 0 C--O 1.256 1.445 0 O-C-N 121.47 -0.769 . . . . 0.0 111.148 -173.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.006 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 2.0 p90 -102.73 15.9 28.02 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.327 -1.483 . . . . 0.0 113.411 -171.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.05 98.22 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 125.269 2.461 . . . . 0.0 108.208 -169.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 129.04 -22.44 5.1 Favored Glycine 1 CA--C 1.581 4.204 0 C-N-CA 130.679 3.99 . . . . 0.0 104.687 -161.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.773 ' HG2' ' HD2' ' A' ' 65' ' ' PRO . 7.5 pt-20 -23.27 -44.53 0.05 OUTLIER Pre-proline 0 C--O 1.247 0.947 0 C-N-CA 130.313 3.445 . . . . 0.0 115.461 168.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.773 ' HD2' ' HG2' ' A' ' 64' ' ' GLU . 76.0 Cg_exo -17.8 159.27 0.0 OUTLIER 'Trans proline' 1 N--CA 1.541 4.271 1 C-N-CA 131.102 7.868 . . . . 0.0 118.704 174.491 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.617 ' HA ' HG22 ' A' ' 44' ' ' ILE . 46.9 m -127.52 -171.25 2.39 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 120.113 -1.617 . . . . 0.0 111.087 -173.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.485 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 32.6 m-85 -159.32 161.74 35.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 123.01 1.386 . . . . 0.0 111.859 173.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.725 ' O ' HD22 ' A' ' 69' ' ' LEU . 63.8 t0 -131.92 120.02 21.95 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.702 172.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -164.06 73.77 0.28 Allowed 'General case' 0 C--O 1.256 1.395 0 O-C-N 121.19 -0.944 . . . . 0.0 112.984 -171.124 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.37 54.73 3.02 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 127.247 3.404 . . . . 0.0 108.045 167.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -142.45 -51.4 0.38 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 111.41 -2.632 . . . . 0.0 111.837 -170.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.776 ' HB2' ' CD2' ' A' ' 91' ' ' LEU . . . -50.66 164.96 0.11 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 123.233 1.492 . . . . 0.0 111.997 -173.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.71 -172.57 2.12 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.137 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.869 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -138.32 147.54 25.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 122.227 1.013 . . . . 0.0 111.4 -178.352 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.42 174.55 14.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.721 0.772 . . . . 0.0 110.869 174.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.93 98.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.858 0.837 . . . . 0.0 111.033 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.462 ' HB1' ' HD1' ' A' ' 80' ' ' TYR . . . 55.29 -161.46 0.16 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.782 0.801 . . . . 0.0 111.015 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.36 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.562 1.172 . . . . 0.0 110.924 -173.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -127.78 70.54 1.34 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.183 0.992 . . . . 0.0 110.122 173.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' O ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -74.08 -79.71 0.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.855 -172.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER 74.59 70.35 0.1 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 125.282 2.467 . . . . 0.0 109.749 -172.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt 71.58 8.28 6.17 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-N 114.09 -1.413 . . . . 0.0 111.428 -172.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HB2' ' CA ' ' A' ' 80' ' ' TYR . 2.6 mtmt -101.03 2.83 40.88 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 124.747 1.219 . . . . 0.0 111.07 170.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -64.06 6.16 0.2 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 177.292 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -103.48 45.5 0.96 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 123.385 1.564 . . . . 0.0 109.282 171.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.617 HG21 ' CH2' ' A' ' 32' ' ' TRP . 4.1 p -136.96 170.18 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-O 122.981 1.372 . . . . 0.0 112.418 -172.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -132.69 177.96 7.22 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.981 172.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 1.044 ' HG2' HD22 ' A' ' 98' ' ' LEU . 24.5 mtp180 -159.14 144.37 15.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.991 0.901 . . . . 0.0 112.286 -173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.846 HG11 HD13 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -136.3 101.59 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.298 1.047 . . . . 0.0 109.96 171.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -80.2 122.65 27.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.003 0.906 . . . . 0.0 111.182 -172.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.776 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 5.5 mt -82.02 173.42 12.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.105 0.955 . . . . 0.0 111.429 -173.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.0 -30.22 20.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.981 0.896 . . . . 0.0 110.708 172.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -72.51 -26.24 61.69 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.466 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.17 -49.5 0.91 Allowed Glycine 0 N--CA 1.462 0.419 0 O-C-N 121.364 -0.835 . . . . 0.0 111.44 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -63.19 99.62 0.19 Allowed 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.775 -0.838 . . . . 0.0 111.159 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -84.21 149.51 26.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.306 0.574 . . . . 0.0 110.903 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.688 ' CZ ' HD11 ' A' ' 91' ' ' LEU . 4.1 m-85 -108.37 95.52 5.72 Favored 'General case' 0 C--O 1.244 0.771 0 O-C-N 121.509 -0.744 . . . . 0.0 110.983 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -82.78 155.77 24.05 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 121.223 -0.923 . . . . 0.0 110.547 173.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.085 HD12 HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.14 116.46 14.54 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 121.1 -1.0 . . . . 0.0 112.307 -172.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -109.84 94.35 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 120.821 -1.174 . . . . 0.0 109.973 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.45 -167.55 1.38 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.76 1.267 . . . . 0.0 112.337 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -68.07 0.8 Allowed 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.669 -172.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -88.71 -82.14 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.769 1.271 . . . . 0.0 111.835 -171.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 162.02 -24.48 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -171.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -82.84 -30.31 28.78 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 122.133 0.968 . . . . 0.0 110.572 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.72 -28.7 19.23 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.812 0.815 . . . . 0.0 109.525 173.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.542 ' HG2' HD21 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -59.09 -53.44 58.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 123.88 1.8 . . . . 0.0 110.607 176.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 112' ' ' THR . 19.4 m -64.77 -46.43 82.15 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.971 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.514 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 51.6 mt-30 -62.94 -26.49 68.85 Favored 'General case' 0 C--O 1.255 1.39 0 O-C-N 121.742 -0.599 . . . . 0.0 110.518 -178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.593 ' CB ' HD11 ' A' ' 87' ' ' LEU . 19.6 m95 -60.66 -48.68 80.68 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 120.518 -1.363 . . . . 0.0 108.881 170.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.745 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -63.62 -37.59 80.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.817 0.818 . . . . 0.0 110.885 179.458 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 108' ' ' SER . 9.1 p -63.47 -47.55 81.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.563 1.173 . . . . 0.0 110.632 -177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -55.89 28.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 123.813 1.768 . . . . 0.0 110.16 173.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.023 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -49.47 -25.73 2.83 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 124.466 1.107 . . . . 0.0 111.512 173.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.869 ' HA ' HD12 ' A' ' 74' ' ' ILE . 15.5 ttpt -71.3 -65.31 0.76 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.193 0.996 . . . . 0.0 111.228 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.72 62.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.517 0.675 . . . . 0.0 111.066 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.574 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.5 mp0 -71.68 -73.64 0.18 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.729 1.252 . . . . 0.0 112.368 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.862 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -41.74 -76.34 0.03 OUTLIER 'General case' 0 C--O 1.242 0.669 0 C-N-CA 124.345 1.058 . . . . 0.0 112.798 -171.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 108.85 19.98 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.201 -0.937 . . . . 0.0 111.683 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.08 -161.42 0.09 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.863 0.84 . . . . 0.0 111.316 173.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 20.4 p -147.83 178.12 8.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.417 1.103 . . . . 0.0 110.43 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 121' ' ' THR . . . . . . . . 0 C--O 1.273 2.319 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.303 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.257 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -105.79 -27.36 11.31 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.963 -0.727 . . . . 0.0 111.156 -173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.88 102.37 0.17 Allowed Glycine 0 N--CA 1.461 0.332 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -132.92 75.82 1.65 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.888 0.851 . . . . 0.0 111.004 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.83 38.22 89.13 Favored Glycine 0 C--N 1.32 -0.318 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.12 169.63 13.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.924 0.868 . . . . 0.0 110.967 -176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.88 -157.16 46.81 Favored Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 174.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HB3' ' NE2' ' A' ' 117' ' ' GLN . 34.3 mm-40 -166.79 -85.0 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.489 1.137 . . . . 0.0 110.531 -173.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -63.54 -104.78 0.01 OUTLIER Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 174.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -160.43 166.73 28.74 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 122.256 1.027 . . . . 0.0 111.282 174.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CB ' ' HA ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -153.69 137.6 16.27 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 122.229 1.014 . . . . 0.0 111.44 173.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.13 168.25 35.72 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-O 122.076 0.82 . . . . 0.0 111.776 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE1' ' CE2' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -82.64 96.92 8.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.917 0.865 . . . . 0.0 109.885 172.472 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG21 ' CZ ' ' A' ' 16' ' ' ARG . 5.3 m -135.56 -166.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 123.048 1.404 . . . . 0.0 112.826 -171.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.9 80.45 1.33 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.581 172.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.827 ' CZ ' HG21 ' A' ' 14' ' ' VAL . 8.5 mtm-85 -107.18 154.48 21.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.726 -173.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HE3' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -108.95 -157.76 0.63 Allowed 'General case' 0 C--O 1.245 0.868 0 O-C-N 121.59 -0.694 . . . . 0.0 110.414 172.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' ND1' ' C ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -170.27 173.74 5.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.261 1.029 . . . . 0.0 111.462 175.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 10.3 pm0 -8.73 94.74 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.652 1.981 . . . . 0.0 113.979 172.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.492 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.75 78.46 2.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.591 1.186 . . . . 0.0 110.756 173.176 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 104.76 2.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.869 0.843 . . . . 0.0 110.934 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -166.98 0.22 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.84 0.828 . . . . 0.0 110.974 177.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 52.5 m 50.37 80.93 0.07 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.173 0.987 . . . . 0.0 111.029 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' NH1' ' A' ' 30' ' ' ARG . 47.5 p -150.05 -39.67 0.14 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.552 0.691 . . . . 0.0 111.146 -173.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt 66.39 104.0 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 122.758 1.266 . . . . 0.0 111.004 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 pttt 49.17 29.01 2.38 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.372 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.78 78.52 0.29 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.937 0.875 . . . . 0.0 110.939 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.7 p -83.95 -165.64 1.19 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.931 0.872 . . . . 0.0 111.023 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.27 156.74 44.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.931 0.872 . . . . 0.0 110.984 177.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' NH1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER -170.03 -47.24 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.731 0.777 . . . . 0.0 111.086 177.253 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m 58.26 -165.29 0.17 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.562 0.696 . . . . 0.0 110.893 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.805 ' CH2' HG21 ' A' ' 86' ' ' VAL . 8.8 m95 -68.63 156.32 38.36 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 121.431 -0.793 . . . . 0.0 110.381 -173.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -140.5 142.42 35.26 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.383 1.087 . . . . 0.0 112.034 -173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.3 134.89 36.62 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.364 172.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.899 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -168.93 164.82 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 O-C-N 121.366 -0.834 . . . . 0.0 112.018 -172.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.603 ' CE2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 m-30 -97.88 85.32 3.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 125.371 2.51 . . . . 0.0 107.981 170.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.551 ' HB3' ' HE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -92.63 114.51 27.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 113.474 -1.694 . . . . 0.0 112.391 -171.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 11' ' ' GLU . . . -106.53 85.48 2.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.475 1.131 . . . . 0.0 110.036 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' C ' ' HG3' ' A' ' 40' ' ' LYS . . . -146.41 -179.92 7.09 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 122.75 1.262 . . . . 0.0 110.604 -173.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.616 ' CG ' ' HA3' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -170.31 -175.84 2.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 123.539 1.638 . . . . 0.0 111.756 -172.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HA ' HG21 ' A' ' 89' ' ' VAL . . . -71.34 -12.77 61.61 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.649 172.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.864 ' O ' ' HG2' ' A' ' 43' ' ' ARG . . . -117.12 -15.56 6.58 Favored Glycine 0 C--O 1.255 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 112.232 -171.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.864 ' HG2' ' O ' ' A' ' 42' ' ' GLY . 2.2 mtm180 -158.66 -168.11 2.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 119.755 1.777 . . . . 0.0 110.957 171.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.949 HG22 ' HA ' ' A' ' 66' ' ' SER . 2.6 mt -147.67 142.45 19.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.955 0.883 . . . . 0.0 110.043 172.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -154.3 99.86 2.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.871 0.843 . . . . 0.0 109.5 172.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CZ ' HG12 ' A' ' 44' ' ' ILE . 22.0 m-30 -101.61 141.55 34.31 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -170.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.803 ' HB3' HG21 ' A' ' 60' ' ' THR . 5.1 p90 -156.47 101.14 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.078 171.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.899 ' HA ' HG12 ' A' ' 35' ' ' VAL . 29.2 tttp -51.71 -31.32 25.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 123.265 1.507 . . . . 0.0 110.673 -176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.635 ' H ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -159.12 -168.87 2.47 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.562 172.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 54' ' ' LYS . 4.8 tt0 -60.62 -28.1 68.28 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 121.238 -0.914 . . . . 0.0 111.791 173.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.039 ' HD3' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -14.35 -65.6 0.01 OUTLIER 'General case' 0 C--O 1.249 1.04 0 C-N-CA 128.267 2.627 . . . . 0.0 116.473 -170.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 59' ' ' LEU . . . -87.81 -42.69 5.96 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 105.912 -2.875 . . . . 0.0 105.912 -172.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.474 ' CD1' ' CG2' ' A' ' 60' ' ' THR . 1.3 m-30 -54.13 -18.38 3.68 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 113.148 -1.526 . . . . 0.0 110.433 170.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.8 OUTLIER -83.17 -54.41 5.05 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 125.053 1.341 . . . . 0.0 110.994 -179.248 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.5 -71.71 0.59 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.979 0.895 . . . . 0.0 111.253 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 5.0 m120 -113.55 106.75 53.86 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -173.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 72.6 Cg_endo -67.36 8.34 0.41 Allowed 'Trans proline' 0 N--CA 1.531 3.689 1 C-N-CA 126.21 4.607 . . . . 0.0 115.897 -174.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -108.97 8.29 26.27 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 120.669 -1.269 . . . . 0.0 111.915 173.015 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 ' O ' ' HA3' ' A' ' 52' ' ' GLY . 27.9 mt -160.05 99.22 1.35 Allowed 'General case' 0 C--O 1.25 1.096 0 O-C-N 120.734 -1.229 . . . . 0.0 110.961 -173.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 47' ' ' TYR . 2.6 p -80.55 -111.51 0.02 OUTLIER 'General case' 0 C--O 1.261 1.679 0 O-C-N 121.069 -1.02 . . . . 0.0 110.439 -173.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 1.039 ' CB ' ' HD3' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -86.47 11.12 13.24 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 121.088 1.767 . . . . 0.0 112.438 -178.616 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 79.66 -25.35 0.18 Allowed 'General case' 0 C--O 1.26 1.657 0 C-N-CA 125.882 1.673 . . . . 0.0 110.6 -171.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -93.38 49.88 2.39 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 103.536 -3.825 . . . . 0.0 103.536 166.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.668 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pp20? -86.84 -25.61 0.34 Allowed Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -168.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.668 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -32.12 170.65 0.0 OUTLIER 'Trans proline' 0 N--CA 1.531 3.731 1 C-N-CA 130.954 7.769 . . . . 0.0 119.387 -173.433 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.949 ' HA ' HG22 ' A' ' 44' ' ' ILE . 71.8 p -144.29 157.76 44.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 113.509 -1.678 . . . . 0.0 111.374 -173.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.747 ' CD1' HD12 ' A' ' 44' ' ' ILE . 5.5 m-85 -136.95 155.85 49.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.177 1.465 . . . . 0.0 111.28 -174.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.52 90.2 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 122.683 1.23 . . . . 0.0 109.685 172.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -118.92 59.37 0.83 Allowed 'General case' 0 C--O 1.272 2.255 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -171.181 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' C ' ' ND2' ' A' ' 71' ' ' ASN . 6.1 mt-30 -85.0 75.65 10.36 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 118.737 -2.477 . . . . 0.0 108.235 168.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 70' ' ' GLN . 10.8 m-80 -169.9 -46.8 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.191 -167.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -58.17 -176.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 123.147 1.451 . . . . 0.0 112.009 -172.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 89' ' ' VAL . . . -127.46 -172.47 2.67 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.868 -173.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -139.04 136.26 42.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.261 -179.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -163.66 152.5 13.98 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.74 0.781 . . . . 0.0 110.85 173.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 86' ' ' VAL . 2.7 mt -104.08 161.53 4.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.89 0.852 . . . . 0.0 110.992 177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.73 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.914 0.864 . . . . 0.0 110.971 -175.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.6 t 58.81 49.77 9.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.79 0.805 . . . . 0.0 111.026 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -164.34 -48.1 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.957 0.884 . . . . 0.0 111.177 -175.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -84.96 158.99 20.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.97 0.89 . . . . 0.0 111.29 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -105.22 127.47 52.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.81 0.814 . . . . 0.0 111.0 176.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 85.35 -36.03 0.05 OUTLIER 'General case' 0 C--O 1.247 0.939 0 C-N-CA 125.539 1.535 . . . . 0.0 110.398 -172.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 32' ' ' TRP . 3.0 mttp -85.17 0.31 52.16 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 120.854 -1.154 . . . . 0.0 112.226 171.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.37 11.84 0.4 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 100' ' ' GLN . 32.2 p80 -124.03 40.47 3.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 124.089 1.899 . . . . 0.0 109.566 172.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.805 HG21 ' CH2' ' A' ' 32' ' ' TRP . 1.1 p -122.94 144.09 33.62 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.955 -173.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.031 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -113.49 164.99 12.92 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.58 -0.7 . . . . 0.0 111.124 175.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.93 ' HG2' HD22 ' A' ' 98' ' ' LEU . 49.8 mtp180 -152.88 141.44 20.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.681 0.753 . . . . 0.0 111.994 -173.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -122.1 134.54 65.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.326 0.584 . . . . 0.0 110.433 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 5.5 mtmm -128.22 135.06 49.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.849 1.309 . . . . 0.0 111.668 -173.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -91.84 -150.1 0.25 Allowed 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.852 -174.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.92 34.1 5.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.968 0.89 . . . . 0.0 110.847 171.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.465 HD21 HD23 ' A' ' 91' ' ' LEU . 6.1 p30 -142.98 21.51 1.94 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 173.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.812 ' O ' HD23 ' A' ' 96' ' ' LEU . . . 82.44 -9.4 58.53 Favored Glycine 0 C--O 1.25 1.114 0 O-C-N 120.95 -1.094 . . . . 0.0 113.43 173.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.862 ' HB3' HD22 ' A' ' 91' ' ' LEU . . . -80.2 94.08 5.98 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 119.01 1.405 . . . . 0.0 111.614 -173.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.055 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.1 OUTLIER -91.02 135.95 33.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.844 0.831 . . . . 0.0 111.554 -176.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.584 ' CZ ' ' CD1' ' A' ' 44' ' ' ILE . 2.7 m-30 -104.39 90.09 3.44 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.58 0.705 . . . . 0.0 110.393 173.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.055 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -78.37 156.59 29.43 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 178.085 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 1.031 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -143.28 110.42 5.69 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.339 -0.851 . . . . 0.0 112.731 -173.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.466 ' HG3' ' CE1' ' A' ' 85' ' ' HIS . 25.6 tt0 -101.67 94.84 6.06 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 170.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 106' ' ' GLU . . . -77.99 171.19 15.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 123.534 1.635 . . . . 0.0 112.101 -170.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.47 -64.85 0.87 Allowed 'General case' 0 C--O 1.246 0.91 0 CA-C-N 114.652 -1.158 . . . . 0.0 113.755 -171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -91.09 -78.32 0.39 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 124.034 1.873 . . . . 0.0 112.291 -169.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 164.64 -31.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.434 1.588 . . . . 0.0 109.898 -171.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.6 m -71.1 -49.49 43.86 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 114.231 -1.349 . . . . 0.0 108.636 171.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HB3' ' HB1' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -55.98 -39.38 71.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.154 170.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.1 ttp -50.7 -51.14 52.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 123.899 1.809 . . . . 0.0 110.195 -172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.679 ' O ' HG12 ' A' ' 111' ' ' VAL . 4.1 p -75.55 -57.12 4.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.233 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -44.56 -27.22 0.44 Allowed 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 124.07 0.948 . . . . 0.0 112.046 178.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.867 ' HB3' HD11 ' A' ' 87' ' ' LEU . 24.8 m95 -76.6 -52.01 10.53 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.556 -0.715 . . . . 0.0 110.702 173.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.851 ' CA ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -47.73 -37.78 6.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 122.931 1.348 . . . . 0.0 111.685 173.212 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.14 -38.37 22.49 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.667 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -32.51 71.28 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.183 1.468 . . . . 0.0 111.108 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.002 ' CD1' HD11 ' A' ' 99' ' ' LEU . 3.4 mt -73.82 -35.74 64.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 124.031 0.932 . . . . 0.0 111.124 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.807 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -65.91 -49.57 67.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.847 0.832 . . . . 0.0 111.025 -175.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.93 -23.37 65.97 Favored 'General case' 0 C--O 1.245 0.818 0 O-C-N 121.936 -0.478 . . . . 0.0 111.611 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.516 ' NE2' ' N ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -73.48 -71.5 0.31 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.088 0.947 . . . . 0.0 111.926 -178.223 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.688 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.1 OUTLIER -43.44 -37.93 2.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.25 1.024 . . . . 0.0 111.414 -173.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -146.65 166.54 26.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.848 0.833 . . . . 0.0 111.212 -175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 121' ' ' THR . 1.3 p -143.95 160.47 40.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.763 0.792 . . . . 0.0 111.129 177.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 120' ' ' SER . 4.1 p -162.36 147.34 12.44 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.997 0.903 . . . . 0.0 111.104 -174.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.158 0 CA-C-O 122.007 0.908 . . . . 0.0 111.031 173.466 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.267 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -136.25 148.38 48.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.856 0.836 . . . . 0.0 111.05 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.06 42.67 1.89 Allowed Glycine 0 C--N 1.32 -0.315 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.0 m -94.92 138.35 32.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.758 0.789 . . . . 0.0 110.977 173.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.43 -121.54 2.48 Favored Glycine 0 C--N 1.32 -0.318 0 CA-C-O 121.975 0.764 . . . . 0.0 111.34 -173.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.35 -86.45 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.69 0.757 . . . . 0.0 111.092 -173.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.42 -131.24 1.64 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.259 0.922 . . . . 0.0 111.77 -173.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -152.58 0.51 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.872 -0.781 . . . . 0.0 110.78 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -60.2 -140.89 0.01 OUTLIER Glycine 0 C--O 1.237 0.305 0 CA-C-O 122.605 1.114 . . . . 0.0 113.454 173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 113' ' ' SER . 0.1 OUTLIER -142.07 160.24 40.61 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.343 -1.092 . . . . 0.0 110.875 -172.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 1.5 pt-20 -164.55 130.44 2.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.363 1.078 . . . . 0.0 111.767 -174.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.09 -174.0 29.33 Favored Glycine 0 C--O 1.236 0.27 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.4 p90 -109.34 110.56 21.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.533 1.159 . . . . 0.0 110.607 173.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 101' ' ' ALA . 2.8 m -156.7 -168.68 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 122.248 1.023 . . . . 0.0 111.652 -175.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.715 HG22 ' HB3' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -90.94 99.45 12.49 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.431 173.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.907 ' NE ' HD22 ' A' ' 99' ' ' LEU . 30.7 ttt-85 -131.89 131.3 42.61 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.808 -173.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' CH2' ' A' ' 20' ' ' TRP . 3.8 tmtt? -99.88 -157.64 0.62 Allowed 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.393 -0.817 . . . . 0.0 110.46 173.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -175.68 34.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 O-C-N 121.261 -0.899 . . . . 0.0 111.232 173.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.809 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -179.67 150.14 0.4 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.811 0.815 . . . . 0.0 111.036 -173.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 174.17 144.74 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.812 0.815 . . . . 0.0 111.141 -177.384 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -158.4 0.75 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.2 0.524 . . . . 0.0 110.881 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.91 34.54 0.48 Allowed 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.507 -0.746 . . . . 0.0 111.647 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.74 -87.83 0.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.484 -0.76 . . . . 0.0 110.952 173.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.2 m -159.56 84.93 0.77 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.79 0.805 . . . . 0.0 110.958 -177.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.15 98.17 7.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.949 0.88 . . . . 0.0 110.953 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -160.7 84.49 0.69 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.826 0.822 . . . . 0.0 111.036 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -156.26 31.71 0.33 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.709 0.766 . . . . 0.0 111.026 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.79 -168.87 0.82 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.922 0.868 . . . . 0.0 111.14 -174.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -138.49 82.73 1.92 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.829 0.823 . . . . 0.0 110.935 174.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -170.05 115.56 0.52 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.948 0.88 . . . . 0.0 111.029 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 t -156.0 -107.45 0.03 OUTLIER 'General case' 0 C--O 1.244 0.794 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.352 -173.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.715 ' HB3' HG22 ' A' ' 15' ' ' THR . 35.3 m95 -60.08 116.33 4.1 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.134 -0.979 . . . . 0.0 110.771 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.772 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -100.9 113.46 26.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.602 0.715 . . . . 0.0 110.964 -173.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.57 89.83 0.73 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.619 -0.676 . . . . 0.0 110.685 173.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.772 ' CG1' ' HB3' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -130.66 -171.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 123.477 1.608 . . . . 0.0 111.634 -173.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.651 ' N ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -102.86 79.59 1.79 Allowed 'General case' 0 C--O 1.242 0.662 0 CA-C-O 123.834 1.778 . . . . 0.0 110.03 172.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.458 ' HE3' ' CE1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -87.58 119.08 27.52 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 122.857 1.313 . . . . 0.0 111.258 -172.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' A' ' 45' ' ' SER . . . -110.18 84.81 1.99 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.321 1.057 . . . . 0.0 109.312 172.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.084 ' HB1' ' CD1' ' A' ' 44' ' ' ILE . . . -149.15 176.53 10.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 125.178 2.418 . . . . 0.0 110.921 -171.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 1.6 pttt -171.16 -165.02 0.38 Allowed 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 114.101 -1.409 . . . . 0.0 110.659 176.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.968 ' HB3' ' HB3' ' A' ' 117' ' ' GLN . . . -64.86 -53.64 43.57 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 124.169 1.938 . . . . 0.0 108.234 169.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.785 ' O ' ' HG3' ' A' ' 43' ' ' ARG . . . -53.69 -50.02 55.52 Favored Glycine 0 C--O 1.253 1.31 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.839 -173.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.785 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 3.8 mtt85 -160.45 140.87 11.6 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.539 1.669 . . . . 0.0 112.071 171.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.084 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -85.83 157.52 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 123.476 1.608 . . . . 0.0 112.352 173.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.612 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -156.62 117.48 3.7 Favored 'General case' 0 C--O 1.249 1.044 0 C-N-CA 124.742 1.217 . . . . 0.0 109.619 171.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.731 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 19.5 m-30 -110.06 137.24 48.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -170.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 36' ' ' TYR . 1.5 p90 -159.87 134.09 7.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.476 1.131 . . . . 0.0 110.595 169.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 2.1 tptt -79.46 -50.84 10.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 123.77 1.748 . . . . 0.0 110.239 173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -163.27 124.11 2.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.931 172.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -26.64 80.69 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 125.721 1.608 . . . . 0.0 114.336 -171.236 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.915 ' HD3' ' HA ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -112.18 -62.41 1.57 Allowed 'General case' 0 C--O 1.254 1.32 0 O-C-N 121.406 -0.809 . . . . 0.0 110.173 -172.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -65.81 -39.49 95.15 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 105.213 -3.155 . . . . 0.0 105.213 170.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 60' ' ' THR . 29.0 m-85 -54.91 -42.92 72.78 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-N 113.176 -1.512 . . . . 0.0 109.948 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.45 -52.25 4.72 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.177 0.989 . . . . 0.0 110.926 171.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -70.61 0.54 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.044 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 14.5 m-80 -128.45 127.31 23.64 Favored Pre-proline 0 C--N 1.32 -0.676 0 O-C-N 121.704 -0.623 . . . . 0.0 110.97 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -62.9 -0.18 1.92 Allowed 'Trans proline' 0 N--CA 1.532 3.736 1 C-N-CA 125.953 4.435 . . . . 0.0 115.542 -175.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HG3' HD23 ' A' ' 59' ' ' LEU . 4.0 pt-20 -98.56 -34.48 10.57 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.44 -1.412 . . . . 0.0 110.924 173.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' A' ' 58' ' ' GLU . 1.1 mm? -90.23 160.99 15.91 Favored 'General case' 0 C--O 1.243 0.74 0 O-C-N 121.81 -0.556 . . . . 0.0 111.066 173.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 52' ' ' GLY . 1.4 p -159.11 -162.73 1.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.338 1.066 . . . . 0.0 112.424 -173.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.915 ' HA ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -42.38 124.6 2.92 Favored 'General case' 0 C--O 1.267 1.994 0 CA-C-O 117.287 -1.34 . . . . 0.0 110.594 172.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -44.05 120.82 2.22 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 122.828 1.299 . . . . 0.0 108.405 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 65' ' ' PRO . . . 98.29 39.78 3.64 Favored Glycine 0 CA--C 1.567 3.339 0 N-CA-C 103.831 -3.707 . . . . 0.0 103.831 -164.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HG2' ' HD3' ' A' ' 65' ' ' PRO . 1.2 pt-20 -86.76 -25.89 0.34 Allowed Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 112.249 -1.975 . . . . 0.0 116.085 -168.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.879 ' HD3' ' HG2' ' A' ' 64' ' ' GLU . 12.8 Cg_exo -38.37 176.92 0.0 OUTLIER 'Trans proline' 0 N--CA 1.527 3.486 1 C-N-CA 129.929 7.086 . . . . 0.0 118.335 -174.125 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -135.04 157.92 45.69 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.734 173.382 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.769 ' HB3' HD12 ' A' ' 69' ' ' LEU . 14.7 m-85 -121.39 172.26 8.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.978 0.894 . . . . 0.0 110.298 172.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 50.7 t0 -141.77 77.34 1.58 Allowed 'General case' 0 C--O 1.247 0.939 0 O-C-N 121.874 -0.516 . . . . 0.0 110.191 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD13 ' CE2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -116.79 64.13 0.72 Allowed 'General case' 0 C--O 1.264 1.829 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -170.517 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' HA2' ' A' ' 42' ' ' GLY . 0.7 OUTLIER -78.58 6.55 8.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 124.874 2.273 . . . . 0.0 110.667 167.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -89.75 -33.51 16.54 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 127.04 2.136 . . . . 0.0 112.208 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 90' ' ' LYS . . . -48.74 165.44 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 123.755 1.741 . . . . 0.0 112.793 -172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.14 -171.79 1.98 Allowed 'General case' 0 C--O 1.245 0.819 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.866 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -151.11 156.29 6.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 123.419 1.581 . . . . 0.0 111.973 -179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 5.9 pt-20 -166.5 -163.86 0.62 Allowed 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.744 173.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 75' ' ' GLU . 6.4 mt -134.72 112.19 14.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.425 -0.797 . . . . 0.0 111.396 179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 50.36 -152.52 0.17 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.482 0.658 . . . . 0.0 111.501 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 t -152.95 -81.39 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.946 0.879 . . . . 0.0 110.843 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.11 33.39 0.82 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.828 0.823 . . . . 0.0 111.217 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.711 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -80.75 179.35 7.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.862 0.839 . . . . 0.0 111.101 -176.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -47.51 2.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.663 0.744 . . . . 0.0 111.379 -174.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.38 -41.13 4.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.691 1.234 . . . . 0.0 110.707 173.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . 17.3 mttm -73.25 1.37 9.52 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.518 172.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -76.57 10.58 2.05 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 174.473 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HB3' ' SD ' ' A' ' 107' ' ' MET . 42.3 m-70 -104.19 33.19 3.59 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 123.007 1.384 . . . . 0.0 109.873 172.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.845 ' C ' HD23 ' A' ' 87' ' ' LEU . 2.7 p -109.0 166.61 4.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 123.063 1.411 . . . . 0.0 111.787 -172.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.845 HD23 ' C ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -126.55 132.47 51.33 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.183 -173.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 1.041 ' CG ' HD22 ' A' ' 98' ' ' LEU . 4.3 mtp180 -123.62 114.02 19.45 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.102 -0.999 . . . . 0.0 113.292 -171.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.882 HG21 ' HB2' ' A' ' 41' ' ' ALA . 5.0 p -106.4 96.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.178 0.99 . . . . 0.0 109.55 171.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.781 ' HD2' HD23 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -80.79 149.46 29.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 123.042 1.401 . . . . 0.0 112.023 -172.38 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 93' ' ' ASN . 0.0 OUTLIER -98.1 -162.35 0.95 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.115 -177.299 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.57 19.03 14.84 Favored 'General case' 0 C--O 1.243 0.763 0 O-C-N 121.689 -0.632 . . . . 0.0 110.939 171.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.774 HD21 HD23 ' A' ' 91' ' ' LEU . 12.0 p30 -118.41 23.04 11.78 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.261 -0.9 . . . . 0.0 111.017 172.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.39 -42.68 2.81 Favored Glycine 0 C--O 1.244 0.772 0 O-C-N 121.184 -0.947 . . . . 0.0 112.516 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.809 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -72.61 145.08 47.58 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.167 -1.196 . . . . 0.0 111.381 -172.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -119.93 151.06 39.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.765 -0.585 . . . . 0.0 111.582 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CE2' HD13 ' A' ' 69' ' ' LEU . 21.6 m-85 -99.96 98.17 8.96 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 122.164 0.983 . . . . 0.0 110.759 173.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.041 HD22 ' CG ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -89.02 140.86 29.0 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.831 -178.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.992 HD11 HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -132.29 106.66 8.06 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.483 -0.76 . . . . 0.0 111.778 -173.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 86' ' ' VAL . 11.8 tt0 -102.09 99.36 9.5 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 121.595 -0.691 . . . . 0.0 110.061 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HA ' HG11 ' A' ' 14' ' ' VAL . . . -80.79 171.04 15.51 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.209 1.004 . . . . 0.0 111.39 -173.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -75.8 0.1 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.011 0.91 . . . . 0.0 111.025 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.88 171.37 9.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.634 0.73 . . . . 0.0 111.308 -173.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.89 -3.08 56.48 Favored 'General case' 0 C--O 1.248 1.016 0 O-C-N 121.559 -0.713 . . . . 0.0 110.702 171.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 27.1 m -82.2 -49.08 10.52 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 123.052 1.406 . . . . 0.0 110.418 173.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -81.89 -23.24 36.4 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 -178.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.488 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 ttp -64.04 -46.54 83.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 124.152 1.93 . . . . 0.0 109.39 -174.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.472 ' O ' HG12 ' A' ' 111' ' ' VAL . 58.1 m -65.07 -52.74 53.89 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.917 173.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HB2' ' HA ' ' A' ' 106' ' ' GLU . 32.1 mt-30 -50.83 -31.82 18.32 Favored 'General case' 0 C--O 1.255 1.384 0 O-C-N 121.607 -0.683 . . . . 0.0 110.853 178.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HD12 ' A' ' 87' ' ' LEU . 32.6 m95 -63.03 -50.95 68.68 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 119.837 1.198 . . . . 0.0 110.257 172.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.82 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.71 -54.92 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.797 0.808 . . . . 0.0 111.993 -179.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -48.69 -45.3 38.9 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 121.107 -0.996 . . . . 0.0 111.32 175.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.615 ' HB3' ' CD2' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -66.14 -52.31 49.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.613 1.673 . . . . 0.0 110.999 179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.992 HD21 HD11 ' A' ' 99' ' ' LEU . 5.2 mt -42.24 -41.1 2.63 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 124.444 1.098 . . . . 0.0 111.655 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -72.05 -39.75 68.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.772 0.796 . . . . 0.0 110.983 -173.413 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.25 -28.41 53.12 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.709 -0.619 . . . . 0.0 111.358 173.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.968 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.0 mp0 -92.47 -77.23 0.44 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.559 1.171 . . . . 0.0 112.503 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.949 ' HA ' ' HB1' ' A' ' 41' ' ' ALA . 1.3 t -25.47 -79.35 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 127.001 2.12 . . . . 0.0 113.142 -172.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -125.8 93.97 3.98 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.917 0.865 . . . . 0.0 110.942 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.01 132.47 15.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.021 0.915 . . . . 0.0 111.024 -175.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 p -72.68 -5.56 38.41 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.838 -174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.136 0 O-C-N 120.994 -1.066 . . . . 0.0 111.339 175.577 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.277 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 p -92.48 108.25 19.83 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.991 0.9 . . . . 0.0 111.024 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.07 -33.06 2.5 Favored Glycine 0 C--O 1.236 0.281 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -98.72 51.37 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.247 1.022 . . . . 0.0 110.943 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.26 -39.16 0.31 Allowed Glycine 0 C--O 1.239 0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.459 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.13 -44.99 32.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.724 0.773 . . . . 0.0 111.503 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.39 -178.6 30.84 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -138.26 -120.93 0.13 Allowed 'General case' 0 C--O 1.254 1.335 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.2 -173.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.649 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -51.45 -87.35 0.01 OUTLIER Glycine 0 CA--C 1.532 1.105 0 N-CA-C 109.212 -1.555 . . . . 0.0 109.212 172.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.556 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -164.92 168.1 17.94 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 113.742 -1.229 . . . . 0.0 111.315 173.279 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -147.12 124.68 11.73 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.732 0.777 . . . . 0.0 110.957 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.92 -176.88 31.46 Favored Glycine 0 C--O 1.236 0.243 0 CA-C-O 123.192 1.44 . . . . 0.0 112.448 -173.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -118.18 121.52 40.72 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.64 -0.918 . . . . 0.0 110.728 174.149 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.769 HG22 ' NE ' ' A' ' 16' ' ' ARG . 2.2 m -166.29 -159.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 122.625 1.202 . . . . 0.0 112.429 -172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -108.98 135.82 49.53 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.782 172.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.769 ' NE ' HG22 ' A' ' 14' ' ' VAL . 8.0 mmt180 -139.35 156.81 46.76 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.636 -0.665 . . . . 0.0 111.073 -172.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 1.005 ' HG2' HD13 ' A' ' 98' ' ' LEU . 2.4 ttpt -120.15 73.37 0.98 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.486 1.136 . . . . 0.0 110.452 172.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -101.44 64.21 1.0 Allowed 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.52 0.676 . . . . 0.0 111.555 -172.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -178.78 -140.19 0.01 OUTLIER 'General case' 0 C--O 1.242 0.705 0 O-C-N 121.11 -0.994 . . . . 0.0 111.848 -173.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.654 ' CE3' ' HG3' ' A' ' 17' ' ' LYS . 11.6 m-90 71.98 112.46 0.06 Allowed 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 125.17 1.388 . . . . 0.0 111.24 172.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 79.91 151.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.321 1.057 . . . . 0.0 111.325 173.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.2 127.27 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.902 0.858 . . . . 0.0 111.005 175.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p 51.49 -157.55 0.12 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.616 0.722 . . . . 0.0 110.875 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER 69.63 -163.98 0.17 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.741 0.781 . . . . 0.0 110.809 174.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' H ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -136.3 174.66 10.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.07 0.938 . . . . 0.0 111.117 178.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 90.9 7.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.854 0.835 . . . . 0.0 111.041 -174.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.58 165.01 11.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.982 0.896 . . . . 0.0 110.974 -174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 m -76.89 -27.86 55.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.441 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -56.09 101.99 0.07 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.382 -0.823 . . . . 0.0 111.217 -176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -112.2 33.91 4.59 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.89 0.853 . . . . 0.0 111.016 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 m -146.83 162.52 38.44 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.863 0.84 . . . . 0.0 110.939 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.784 ' CZ2' HD22 ' A' ' 98' ' ' LEU . 16.0 m0 -72.34 143.65 48.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.792 0.806 . . . . 0.0 110.942 -174.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.97 138.78 31.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.938 0.875 . . . . 0.0 111.088 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.49 130.6 38.1 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.785 173.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER -160.86 172.48 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 122.654 1.216 . . . . 0.0 112.127 -172.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' HB3' ' CE2' ' A' ' 47' ' ' TYR . 6.1 m-85 -106.8 82.43 1.7 Allowed 'General case' 0 C--O 1.241 0.654 0 CA-C-O 123.15 1.453 . . . . 0.0 110.009 172.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.941 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 1.5 ptm -104.42 132.69 50.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 123.607 1.67 . . . . 0.0 111.166 -173.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 45' ' ' SER . . . -100.69 94.56 6.15 Favored 'General case' 0 C--O 1.248 0.999 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.585 173.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.941 ' HB3' ' CE ' ' A' ' 37' ' ' MET . . . -156.03 179.65 9.02 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 125.515 2.579 . . . . 0.0 113.227 -170.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.09 -165.91 0.44 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 124.448 2.07 . . . . 0.0 113.044 173.003 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 118' ' ' SER . . . -63.93 -17.52 63.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.061 172.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 70' ' ' GLN . . . -81.46 -86.81 0.67 Allowed Glycine 0 N--CA 1.467 0.741 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 174.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -134.33 132.9 40.06 Favored 'General case' 0 C--O 1.254 1.315 0 O-C-N 121.658 -0.907 . . . . 0.0 110.709 -172.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.001 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -87.95 158.18 3.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 122.73 1.252 . . . . 0.0 112.143 -177.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.588 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 21.9 t -143.67 138.57 29.02 Favored 'General case' 0 C--O 1.261 1.704 0 C-N-CA 124.991 1.316 . . . . 0.0 108.649 170.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 1.001 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 17.3 m-85 -131.71 136.24 47.48 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 121.09 1.768 . . . . 0.0 115.656 -169.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CG ' ' CE2' ' A' ' 53' ' ' TYR . 1.4 p90 -159.58 113.54 2.29 Favored 'General case' 0 C--O 1.251 1.152 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.763 170.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HA ' ' HB ' ' A' ' 35' ' ' VAL . 9.8 tttm -53.29 -34.25 56.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 120.277 1.398 . . . . 0.0 110.446 -178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -173.85 -118.64 0.0 OUTLIER 'General case' 0 C--O 1.259 1.56 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.281 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' LYS . 3.3 pt20 -90.17 -42.67 10.91 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 120.615 1.552 . . . . 0.0 111.94 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.986 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -16.22 -66.12 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 126.936 2.094 . . . . 0.0 115.276 -171.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.561 ' H ' ' HD3' ' A' ' 51' ' ' LYS . . . -77.22 -47.82 8.8 Favored Glycine 0 N--CA 1.469 0.844 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -172.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.914 ' CE1' HG22 ' A' ' 60' ' ' THR . 5.7 m-30 -59.88 -14.29 14.71 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.341 -0.93 . . . . 0.0 111.269 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -78.03 -55.66 5.11 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 120.855 -1.153 . . . . 0.0 110.905 -179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -62.75 1.47 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.856 . . . . 0.0 111.032 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -124.82 97.41 38.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 121.324 0.583 . . . . 0.0 110.866 -176.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 53' ' ' TYR . 70.2 Cg_exo -47.15 -36.58 21.95 Favored 'Trans proline' 0 N--CA 1.528 3.519 1 C-N-CA 126.235 4.623 . . . . 0.0 114.839 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -74.24 -33.93 63.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.855 0.836 . . . . 0.0 110.936 -175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.8 mt -104.36 95.31 5.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.74 0.781 . . . . 0.0 110.974 173.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.914 HG22 ' CE1' ' A' ' 53' ' ' TYR . 16.0 p -70.9 -157.89 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.828 -0.545 . . . . 0.0 110.834 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.986 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -68.1 178.18 1.95 Allowed 'General case' 0 C--O 1.252 1.219 0 CA-C-O 121.308 0.575 . . . . 0.0 110.934 176.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -74.87 0.36 15.84 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.149 -1.594 . . . . 0.0 113.356 -171.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' HA3' ' CZ ' ' A' ' 61' ' ' PHE . . . -94.56 33.49 5.29 Favored Glycine 0 CA--C 1.55 2.242 0 N-CA-C 104.794 -3.323 . . . . 0.0 104.794 165.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.619 ' CB ' ' HD2' ' A' ' 65' ' ' PRO . 0.3 OUTLIER -39.37 168.03 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.72 0 CA-C-O 127.55 3.548 . . . . 0.0 117.456 -166.535 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.619 ' HD2' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER 0.21 -125.1 0.0 OUTLIER 'Trans proline' 1 N--CA 1.553 4.989 1 C-N-CA 132.675 8.917 . . . . 0.0 120.862 -173.693 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 p -112.15 171.49 7.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 125.9 2.762 . . . . 0.0 116.806 -166.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.578 ' HB3' HD21 ' A' ' 69' ' ' LEU . 9.6 m-85 -138.07 113.85 9.8 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 112.843 -1.98 . . . . 0.0 109.966 172.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -78.7 107.51 11.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.376 1.084 . . . . 0.0 110.217 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.783 HD22 HD21 ' A' ' 91' ' ' LEU . 5.1 mt -128.49 -22.43 3.34 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-O 116.435 -1.745 . . . . 0.0 113.137 -172.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HA ' ' HA2' ' A' ' 42' ' ' GLY . 5.1 tt0 -31.14 76.5 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 121.937 2.153 . . . . 0.0 113.76 -165.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' LEU . 5.1 m-80 178.6 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.723 -172.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.027 ' CB ' HD23 ' A' ' 91' ' ' LEU . . . -35.91 126.18 0.72 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 124.857 1.263 . . . . 0.0 112.941 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 90' ' ' LYS . . . -59.91 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.812 0.815 . . . . 0.0 111.148 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 115' ' ' LYS . 16.5 mt -147.14 150.14 14.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.225 1.012 . . . . 0.0 111.642 -173.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.81 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -169.6 -176.02 2.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.927 0.87 . . . . 0.0 110.995 173.449 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.52 149.83 9.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.489 0.661 . . . . 0.0 110.759 173.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.14 139.11 42.92 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.941 0.877 . . . . 0.0 111.284 -175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 t -98.82 -29.8 12.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.391 0.615 . . . . 0.0 111.677 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -114.1 65.8 0.67 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.778 1.275 . . . . 0.0 110.0 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 81' ' ' THR . 24.0 p90 -92.19 -45.18 8.38 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -171.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.512 ' N ' ' CD1' ' A' ' 80' ' ' TYR . 2.1 m 62.21 -85.34 0.02 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.135 -0.978 . . . . 0.0 109.76 -171.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' HG22 ' A' ' 81' ' ' THR . 1.2 mtpp -116.74 38.58 3.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 123.215 1.483 . . . . 0.0 110.181 171.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.518 ' O ' HG12 ' A' ' 86' ' ' VAL . 32.4 mttt -116.58 1.27 12.87 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.621 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -58.4 2.82 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 173.375 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 83' ' ' LYS . 20.3 m-70 -104.55 42.2 1.23 Allowed 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 124.831 1.253 . . . . 0.0 109.747 170.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 83' ' ' LYS . 2.7 p -136.96 174.76 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 124.068 1.889 . . . . 0.0 112.933 -172.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.98 ' CD1' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -150.88 167.86 26.24 Favored 'General case' 0 C--O 1.25 1.091 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.733 172.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.81 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.6 ptt85 -158.86 143.66 15.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.908 1.337 . . . . 0.0 113.011 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 41' ' ' ALA . 3.2 p -117.32 100.44 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 122.335 1.064 . . . . 0.0 109.964 172.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 18.3 ttpp -87.99 145.18 26.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.029 0.919 . . . . 0.0 112.231 -172.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.027 HD23 ' CB ' ' A' ' 72' ' ' ALA . 25.0 mt -87.21 -179.92 6.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 123.022 1.391 . . . . 0.0 111.793 -177.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.37 -1.92 56.71 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.861 172.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.36 11.68 14.04 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 120.933 -1.105 . . . . 0.0 111.739 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.79 -58.63 0.38 Allowed Glycine 0 N--CA 1.468 0.802 0 O-C-N 120.848 -1.157 . . . . 0.0 111.276 173.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.82 135.75 56.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.776 -0.838 . . . . 0.0 110.853 -174.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.516 HD23 ' HD3' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -118.11 174.72 6.05 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 121.443 -0.785 . . . . 0.0 111.109 -173.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' A' ' 69' ' ' LEU . 68.5 m-85 -139.27 85.18 2.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.594 1.187 . . . . 0.0 110.33 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.005 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.1 mp -77.32 164.45 25.53 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.858 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.98 HD12 ' CD1' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -146.99 92.27 2.11 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 111.702 -172.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.48 ' N ' HG23 ' A' ' 86' ' ' VAL . 29.0 tt0 -86.11 88.2 7.55 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 120.589 -1.319 . . . . 0.0 109.62 171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.93 -172.24 2.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.673 1.225 . . . . 0.0 112.291 -171.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -88.84 0.1 Allowed 'General case' 0 C--O 1.246 0.876 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.332 -172.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.7 -163.55 1.04 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.824 1.297 . . . . 0.0 111.675 -171.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.13 -19.95 27.75 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.58 172.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.2 m -71.99 -63.43 1.14 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.449 1.118 . . . . 0.0 108.873 172.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -40.41 25.73 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.87 171.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 mmm -54.46 -70.62 0.1 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.997 0.903 . . . . 0.0 111.422 -171.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.819 ' O ' HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -68.72 -18.11 64.18 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.654 -176.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -72.04 -40.38 68.44 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.09 -1.006 . . . . 0.0 111.42 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.816 ' HB3' HD11 ' A' ' 87' ' ' LEU . 42.1 m95 -64.9 -40.89 95.79 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.938 0.875 . . . . 0.0 111.559 172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.819 HG12 ' O ' ' A' ' 108' ' ' SER . 1.7 p -63.34 -46.69 94.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.789 0.805 . . . . 0.0 110.696 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.6 p -60.87 -45.77 93.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.053 0.93 . . . . 0.0 110.727 173.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.82 99.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.004 0.907 . . . . 0.0 110.72 -173.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.769 ' CD1' HD11 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -74.1 -35.89 64.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.505 0.669 . . . . 0.0 111.519 -176.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HA ' HD12 ' A' ' 74' ' ' ILE . 21.1 tttt -63.69 -39.73 95.03 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.708 0.766 . . . . 0.0 111.297 -178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.51 72.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.784 0.802 . . . . 0.0 111.478 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.491 ' NE2' ' N ' ' A' ' 9' ' ' GLY . 57.5 mm-40 -76.56 -57.62 3.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.68 0.753 . . . . 0.0 112.779 -173.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.691 ' HB2' ' HB1' ' A' ' 41' ' ' ALA . 2.1 t -30.73 -82.32 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 125.528 1.531 . . . . 0.0 111.802 -176.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.09 167.38 10.22 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 122.001 0.905 . . . . 0.0 111.226 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 p -115.27 -32.34 5.68 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.567 0.699 . . . . 0.0 111.36 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 41.2 p -67.2 103.32 1.2 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.233 1.016 . . . . 0.0 111.03 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.27 2.162 0 CA-C-O 122.054 0.93 . . . . 0.0 110.99 173.499 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.308 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -146.53 -88.44 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.867 0.841 . . . . 0.0 110.982 -174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.72 84.61 1.54 Allowed Glycine 0 C--N 1.32 -0.341 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.56 97.53 5.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.779 0.799 . . . . 0.0 110.911 -173.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.88 129.12 1.18 Allowed Glycine 0 C--N 1.319 -0.382 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -89.46 -165.81 1.44 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.914 0.864 . . . . 0.0 111.09 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.46 104.57 1.48 Allowed Glycine 0 C--O 1.238 0.399 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -150.14 69.42 1.01 Allowed 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.701 -0.882 . . . . 0.0 110.743 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 40' ' ' LYS . . . -65.94 -131.35 0.02 OUTLIER Glycine 0 CA--C 1.521 0.451 0 CA-C-O 122.44 1.022 . . . . 0.0 113.583 175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -142.12 162.03 36.51 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 121.7 -0.882 . . . . 0.0 110.334 173.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -160.11 104.19 1.49 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.461 1.124 . . . . 0.0 111.168 -173.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.09 166.15 33.47 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 28.8 p90 -85.54 99.92 11.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.656 1.693 . . . . 0.0 110.643 173.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -130.09 -172.1 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 O-C-N 121.13 -0.982 . . . . 0.0 110.99 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.45 88.33 3.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.193 0.996 . . . . 0.0 111.237 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' NH1' ' HB3' ' A' ' 39' ' ' ALA . 16.2 ttm180 -104.26 148.6 26.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.903 174.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.966 ' HG2' ' CZ2' ' A' ' 20' ' ' TRP . 0.0 OUTLIER -125.61 95.85 4.58 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.711 0.767 . . . . 0.0 110.098 172.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.92 -167.21 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.427 1.108 . . . . 0.0 111.376 -173.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.005 ' HA ' ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -27.01 107.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 124.535 1.134 . . . . 0.0 112.924 173.246 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.966 ' CZ2' ' HG2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.15 -32.63 21.18 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.927 0.87 . . . . 0.0 111.043 -178.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 85.86 -14.63 0.53 Allowed 'General case' 0 C--O 1.248 0.984 0 C-N-CA 123.875 0.87 . . . . 0.0 111.961 173.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 86.26 -80.54 0.02 OUTLIER 'General case' 0 C--O 1.247 0.973 0 O-C-N 121.08 -1.012 . . . . 0.0 110.577 173.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 m -79.45 129.66 34.68 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.063 -1.023 . . . . 0.0 111.076 -174.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.51 166.15 34.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.866 0.841 . . . . 0.0 111.026 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.9 pttt -84.37 161.94 20.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.918 0.866 . . . . 0.0 111.063 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 mttt 64.97 -158.42 0.29 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.487 0.66 . . . . 0.0 110.778 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.16 60.17 0.65 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.976 0.893 . . . . 0.0 111.08 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.61 133.92 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.013 0.911 . . . . 0.0 110.978 -174.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -106.84 121.63 44.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.854 0.835 . . . . 0.0 111.03 -177.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mtt85 61.35 -105.37 0.2 Allowed 'General case' 0 C--O 1.253 1.248 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.667 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -160.18 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 O-C-N 120.724 -1.235 . . . . 0.0 111.326 -173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 6.2 m0 -63.67 174.76 1.27 Allowed 'General case' 0 C--O 1.244 0.764 0 CA-C-O 121.537 0.684 . . . . 0.0 110.54 175.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.46 131.03 53.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.012 0.91 . . . . 0.0 111.558 -173.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -85.19 79.88 9.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.142 0.973 . . . . 0.0 110.664 173.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.75 162.24 10.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 122.104 0.954 . . . . 0.0 111.814 -172.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.438 ' HB3' ' CD2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.81 95.26 9.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.32 1.057 . . . . 0.0 110.418 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.534 ' HE3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -99.07 156.02 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 123.874 1.797 . . . . 0.0 111.077 -173.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HA ' ' HB3' ' A' ' 11' ' ' GLU . . . -135.77 73.6 1.47 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.124 -1.398 . . . . 0.0 108.359 172.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.948 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -148.06 -173.27 4.26 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-O 123.447 1.594 . . . . 0.0 111.343 -170.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.679 ' C ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -171.02 -79.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 125.66 2.648 . . . . 0.0 110.972 171.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' O ' ' HB2' ' A' ' 69' ' ' LEU . . . -147.39 -59.81 0.27 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 124.109 1.909 . . . . 0.0 108.962 -172.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.03 -28.55 72.28 Favored Glycine 0 C--O 1.235 0.203 0 CA-C-N 113.461 -1.7 . . . . 0.0 110.343 -171.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.644 ' HG2' ' HA ' ' A' ' 68' ' ' ASP . 5.1 mtt180 -161.15 168.3 24.54 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.543 -0.387 . . . . 0.0 110.957 171.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.948 HD12 ' HB1' ' A' ' 39' ' ' ALA . 0.4 OUTLIER -129.56 148.9 33.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 120.81 -1.181 . . . . 0.0 111.211 172.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.71 113.92 7.75 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.108 171.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.621 ' CE2' HG21 ' A' ' 44' ' ' ILE . 11.3 m-85 -103.96 136.97 42.62 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -171.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -159.3 94.53 1.19 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.217 1.008 . . . . 0.0 110.77 171.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.81 ' HA ' HG12 ' A' ' 35' ' ' VAL . 13.7 tttp -46.85 -25.9 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.414 1.102 . . . . 0.0 111.43 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -170.11 -165.25 0.46 Allowed 'General case' 0 C--O 1.243 0.744 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.804 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -89.45 63.55 6.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.009 0.909 . . . . 0.0 110.849 173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.892 ' HD2' ' CB ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -111.63 -88.79 0.52 Allowed 'General case' 0 C--O 1.255 1.36 0 O-C-N 121.258 -0.901 . . . . 0.0 110.459 -173.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 60' ' ' THR . . . -48.3 -36.6 16.71 Favored Glycine 0 N--CA 1.477 1.431 0 N-CA-C 106.383 -2.687 . . . . 0.0 106.383 170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -59.07 -55.36 36.05 Favored 'General case' 0 C--O 1.253 1.247 0 CA-C-N 114.501 -0.849 . . . . 0.0 112.206 173.069 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -41.37 -61.16 1.09 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 120.494 -1.379 . . . . 0.0 110.725 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -59.55 -71.14 0.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.097 -1.002 . . . . 0.0 110.966 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -123.16 138.48 29.94 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 121.58 0.705 . . . . 0.0 111.312 -173.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -68.88 -19.55 40.34 Favored 'Trans proline' 0 N--CA 1.53 3.672 1 C-N-CA 125.974 4.45 . . . . 0.0 115.304 177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' O ' HD23 ' A' ' 59' ' ' LEU . 2.1 pt-20 -98.05 11.88 36.16 Favored 'General case' 0 C--O 1.249 1.054 0 O-C-N 120.952 -1.092 . . . . 0.0 112.166 174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 58' ' ' GLU . 15.5 mt -139.73 160.79 39.08 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.808 -1.182 . . . . 0.0 111.012 177.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -152.81 -161.3 1.27 Allowed 'General case' 0 C--O 1.248 0.983 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.531 173.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.892 ' CB ' ' HD2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -48.25 144.57 3.8 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.184 171.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mtm105 -54.77 -8.17 0.23 Allowed 'General case' 0 C--O 1.257 1.451 0 CA-C-N 121.202 1.819 . . . . 0.0 112.686 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.476 ' HA3' ' CE2' ' A' ' 61' ' ' PHE . . . -91.94 47.61 2.72 Favored Glycine 0 CA--C 1.542 1.78 0 N-CA-C 105.586 -3.006 . . . . 0.0 105.586 167.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.755 ' HG3' ' HD3' ' A' ' 65' ' ' PRO . 1.6 pt-20 -76.32 -31.12 0.93 Allowed Pre-proline 0 C--N 1.317 -0.844 0 N-CA-C 116.172 1.916 . . . . 0.0 116.172 -169.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.755 ' HD3' ' HG3' ' A' ' 64' ' ' GLU . 1.1 Cg_exo -42.26 175.38 0.0 OUTLIER 'Trans proline' 0 N--CA 1.523 3.237 1 C-N-CA 130.495 7.463 . . . . 0.0 117.558 -173.187 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.495 ' HA ' HG22 ' A' ' 44' ' ' ILE . 11.0 p -137.71 -176.41 4.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 113.777 -1.556 . . . . 0.0 110.79 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' A' ' 69' ' ' LEU . 80.8 m-85 -154.41 168.16 27.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 122.01 0.91 . . . . 0.0 110.226 173.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' A' ' 43' ' ' ARG . 54.1 t0 -142.78 76.49 1.53 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.607 0.718 . . . . 0.0 110.398 175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.804 ' HB2' ' O ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -113.78 76.73 1.0 Allowed 'General case' 0 C--O 1.263 1.799 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -171.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.37 14.41 5.43 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 124.409 2.052 . . . . 0.0 110.064 167.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.0 -25.69 12.45 Favored 'General case' 0 CA--C 1.51 -0.585 0 C-N-CA 127.99 2.516 . . . . 0.0 113.038 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.715 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.47 175.37 0.11 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 123.639 1.685 . . . . 0.0 112.338 -171.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.54 133.51 49.79 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.649 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.697 HD11 ' C ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -96.09 145.34 8.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 122.205 1.002 . . . . 0.0 111.873 -172.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -169.99 162.13 9.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.893 0.854 . . . . 0.0 111.064 173.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 86' ' ' VAL . 1.0 OUTLIER -101.72 161.62 3.72 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 O-C-N 121.751 -0.593 . . . . 0.0 110.432 172.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 1.011 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . . . -61.85 167.99 3.38 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.43 -0.794 . . . . 0.0 110.761 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -51.33 1.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.976 0.893 . . . . 0.0 111.48 -175.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.73 63.04 0.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.605 1.193 . . . . 0.0 110.294 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 1.134 ' CE1' ' HG3' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -69.39 -58.36 4.1 Favored 'General case' 0 C--O 1.253 1.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 113.249 -172.322 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LYS . 0.8 OUTLIER 54.03 40.0 31.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 124.013 1.863 . . . . 0.0 107.193 -169.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 81' ' ' THR . 8.1 ttmt 101.07 128.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 128.235 2.614 . . . . 0.0 107.797 -168.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.0 OUTLIER 116.41 -2.01 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 129.259 3.023 . . . . 0.0 108.857 -167.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 1.134 ' HG3' ' CE1' ' A' ' 80' ' ' TYR . 0.6 OUTLIER -70.28 9.6 0.57 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 172.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.459 ' CD2' ' N ' ' A' ' 85' ' ' HIS . 15.7 m-70 -115.8 43.85 2.02 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.727 172.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.637 HG23 ' N ' ' A' ' 100' ' ' GLN . 0.3 OUTLIER -149.25 161.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 124.176 1.941 . . . . 0.0 113.195 -171.678 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.99 HD12 ' CD1' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -123.57 175.47 6.78 Favored 'General case' 0 C--O 1.258 1.551 0 C-N-CA 125.381 1.473 . . . . 0.0 111.002 171.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HG2' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -160.57 151.3 18.55 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 119.729 -1.857 . . . . 0.0 113.553 172.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.715 HG23 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -121.25 151.59 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.487 170.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -118.71 126.91 52.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.68 0.753 . . . . 0.0 111.014 -172.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.681 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -80.88 -165.58 0.93 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.333 1.063 . . . . 0.0 110.126 173.316 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.06 35.85 4.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.261 1.029 . . . . 0.0 110.312 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.566 ' ND2' HD22 ' A' ' 91' ' ' LEU . 4.1 p30 -130.88 14.48 5.29 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.379 173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.48 -23.52 35.9 Favored Glycine 0 C--O 1.246 0.852 0 O-C-N 120.809 -1.182 . . . . 0.0 112.669 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.005 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -88.13 166.28 14.52 Favored 'General case' 0 C--N 1.319 -0.751 0 O-C-N 120.985 -1.303 . . . . 0.0 111.723 -173.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.92 153.21 42.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.876 0.846 . . . . 0.0 111.732 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 44' ' ' ILE . 5.9 m-85 -108.22 96.09 6.12 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 121.792 -0.567 . . . . 0.0 110.209 172.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD13 ' CZ3' ' A' ' 20' ' ' TRP . 3.4 mp -87.28 121.17 29.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.112 0.482 . . . . 0.0 110.908 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.93 ' CD1' HD11 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -103.61 99.49 9.3 Favored 'General case' 0 C--O 1.267 1.99 0 O-C-N 120.874 -1.141 . . . . 0.0 112.924 -172.123 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 86' ' ' VAL . 25.8 tt0 -85.93 93.82 9.04 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 121.351 1.887 . . . . 0.0 109.428 170.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.529 ' HB3' ' HA ' ' A' ' 107' ' ' MET . . . -78.61 -165.04 0.65 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.919 0.866 . . . . 0.0 111.786 -171.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.17 -86.8 0.12 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -91.1 -76.93 0.43 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 123.59 1.662 . . . . 0.0 111.886 -170.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.7 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 122.503 1.144 . . . . 0.0 110.281 -172.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -68.71 -57.85 5.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.869 -1.059 . . . . 0.0 108.391 170.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.77 -42.16 45.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.705 170.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.529 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 12.4 ttp -54.46 -53.34 55.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 125.255 2.455 . . . . 0.0 109.339 -173.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.77 ' O ' HG12 ' A' ' 111' ' ' VAL . 23.2 t -69.17 -48.13 63.08 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.925 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -42.18 75.45 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 121.148 -0.97 . . . . 0.0 110.699 -176.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.915 ' HB3' HD11 ' A' ' 87' ' ' LEU . 37.4 m95 -54.62 -47.13 73.8 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 120.975 -1.078 . . . . 0.0 110.368 172.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.888 ' HA ' HD12 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -60.75 -53.7 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 122.018 0.914 . . . . 0.0 111.439 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -26.96 63.68 Favored 'General case' 0 C--O 1.252 1.218 0 C-N-CA 123.952 0.901 . . . . 0.0 111.374 173.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -54.55 15.54 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 123.433 1.587 . . . . 0.0 110.886 176.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.99 ' CD1' HD12 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -60.67 -32.98 72.16 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.042 175.305 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 74' ' ' ILE . 4.6 tmtm? -55.62 -50.24 70.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.105 0.955 . . . . 0.0 110.752 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.62 -38.24 53.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.627 0.727 . . . . 0.0 110.947 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.546 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 2.6 mp0 -90.52 -84.55 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.825 -0.547 . . . . 0.0 111.854 -176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.525 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -34.03 93.57 0.01 OUTLIER 'General case' 0 C--O 1.262 1.732 0 C-N-CA 124.881 1.273 . . . . 0.0 110.746 -172.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -133.35 174.56 10.27 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 121.368 1.895 . . . . 0.0 112.085 -170.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 121' ' ' THR . 16.2 p -100.14 -114.54 0.17 Allowed 'General case' 0 C--O 1.254 1.335 0 O-C-N 121.833 -0.542 . . . . 0.0 110.626 173.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 120' ' ' SER . 1.0 OUTLIER -165.19 142.21 5.81 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 120.468 -1.395 . . . . 0.0 111.271 -178.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.271 2.194 0 CA-C-O 122.094 0.949 . . . . 0.0 110.97 178.327 . . . . . . . . 0 0 . 1 stop_ save_