data_1hky_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 1hky _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 ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.452 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' ' HZ1' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.492 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' HA ' HD21 ' A' ' 40' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.646 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.646 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.573 ' HA ' HD23 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 19' ' ' SER . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CD2' HG22 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.561 HD13 HD13 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.579 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.737 ' HB2' HD11 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.585 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.605 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.737 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.585 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' H ' HG21 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.475 HG22 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 59' ' ' LEU . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.693 ' HB3' HD13 ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.436 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.479 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.472 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.581 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.532 ' H ' HD22 ' A' ' 52' ' ' LEU . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.581 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 21' ' ' THR . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.651 ' HB3' HD13 ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.574 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.688 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.588 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.574 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.452 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 69' ' ' THR . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.652 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' HD12 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.752 ' HB2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' ARG . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.45 ' HB ' HG23 ' A' ' 21' ' ' THR . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 68' ' ' PRO . 7.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' H ' ' HG ' ' A' ' 19' ' ' SER . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.624 ' H ' HD11 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.557 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.612 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.745 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.72 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.72 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.547 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HB3' HG12 ' A' ' 18' ' ' VAL . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 HD13 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.781 ' HB3' HD13 ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.827 ' HB2' HD11 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.689 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.757 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.827 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.56 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.786 HG21 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.786 ' HG3' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.689 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.437 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' O ' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 69' ' ' THR . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.715 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.498 ' N ' HD23 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.594 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.619 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 76' ' ' SER . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.509 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.487 HG13 ' HA ' ' A' ' 70' ' ' LYS . 1.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.771 ' HB3' HD13 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.628 ' HA ' HD21 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' CB ' HD11 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.695 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.549 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.622 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.466 ' H ' HG22 ' A' ' 18' ' ' VAL . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HA ' HG13 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB1' HD23 ' A' ' 40' ' ' LEU . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.628 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.744 ' HA ' HD21 ' A' ' 40' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.819 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.485 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.707 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.819 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.485 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG22 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 71' ' ' SER . 14.9 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.71 HD13 HD13 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.496 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' HD12 ' A' ' 26' ' ' ILE . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.566 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.643 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.557 ' SG ' ' HB1' ' A' ' 31' ' ' ALA . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' HG11 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 71' ' ' SER . 5.9 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB3' ' HG ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.858 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.561 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.576 ' HA ' HD21 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.552 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.706 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.858 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.485 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.552 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.481 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.618 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.664 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.485 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.743 ' HB2' HD11 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.795 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.456 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG11 ' N ' ' A' ' 19' ' ' SER . 14.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.504 ' N ' HG11 ' A' ' 18' ' ' VAL . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.869 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.583 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.554 ' HA ' HD22 ' A' ' 40' ' ' LEU . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 37' ' ' CYS . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.863 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.869 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.863 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.513 ' HA ' HD22 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' H ' HG22 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.629 ' HB3' ' HG1' ' A' ' 69' ' ' THR . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 59' ' ' LEU . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.491 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.5 ' N ' HD23 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.592 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.782 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.632 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.782 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.752 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.592 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.404 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 69' ' ' THR . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.651 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.602 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.42 ' HB2' HD12 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.763 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.651 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.814 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.763 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.619 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.619 ' H ' HG21 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 46' ' ' LYS . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HB3' HD11 ' A' ' 26' ' ' ILE . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.584 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 53' ' ' ALA . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.55 ' SG ' ' HB1' ' A' ' 31' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' H ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.594 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 19' ' ' SER . 2.9 m . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 111.821 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.777 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 69' ' ' THR . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.642 HD13 HD13 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.491 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.53 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CB ' HD12 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.66 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' N ' ' A' ' 53' ' ' ALA . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.684 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.66 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.408 HG23 HG22 ' A' ' 21' ' ' THR . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' LEU . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 57' ' ' CYS . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.649 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.628 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.628 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG13 ' H ' ' A' ' 69' ' ' THR . 48.0 t . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 HG23 HG23 ' A' ' 69' ' ' THR . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.576 HD13 HD13 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.643 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.477 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.785 ' HB2' HD11 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.758 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' H ' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.484 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' H ' HG21 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.728 0.299 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 57.36 -166.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -91.82 -5.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.73 -22.91 49.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -30.21 71.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.81 142.91 34.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.36 159.46 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.29 153.85 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 127.19 35.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.67 -14.21 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.71 118.37 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.58 51.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.574 ' HB2' HG13 ' A' ' 75' ' ' VAL . 41.3 p90 -110.81 160.41 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.19 108.76 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -71.97 104.57 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 71' ' ' SER . . . -140.23 -78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.561 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.01 148.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.452 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HA ' ' HZ1' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.492 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' HA ' HD21 ' A' ' 40' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.646 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.734 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.646 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.573 ' HA ' HD23 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HB3' ' OG ' ' A' ' 19' ' ' SER . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.21 -177.18 23.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -133.95 -175.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -50.67 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.75 152.41 21.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.62 -59.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.92 106.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.084 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.5 153.97 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.84 76.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -157.57 148.06 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.878 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -76.41 -168.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 119.4 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.72 -170.49 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.73 159.13 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -79.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -63.2 1.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -177.74 3.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG22 ' HE2' ' A' ' 10' ' ' LYS . 2.6 m -135.56 -27.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HE2' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.62 123.06 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.26 -23.93 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.681 HG23 HE21 ' A' ' 15' ' ' GLN . 80.9 p -76.59 153.69 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.151 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 p -142.57 -4.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -139.05 6.82 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.681 HE21 HG23 ' A' ' 12' ' ' THR . 9.6 mt-30 -111.03 -19.74 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 t30 57.64 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.61 31.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.584 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -163.18 141.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CD2' HG22 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.561 HD13 HD13 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.691 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.579 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.634 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.579 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.737 ' HB2' HD11 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.585 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.788 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.605 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.788 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.737 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.585 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.437 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' H ' HG21 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG22 HD21 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.2 148.08 19.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.482 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -137.14 -15.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.96 94.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HD2' HD12 ' A' ' 82' ' ' ILE . 5.2 mtm180 -61.4 128.37 36.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 47.27 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -104.09 -22.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 109.01 5.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 57.44 -165.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.62 -7.47 14.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.11 -174.0 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -82.3 -174.56 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.36 -31.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.8 171.18 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.51 -33.44 9.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.08 -70.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -132.63 -177.92 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.544 ' HB ' HG21 ' A' ' 12' ' ' THR . 5.5 m -63.78 139.78 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -96.35 71.96 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 55.79 33.81 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.544 HG21 ' HB ' ' A' ' 9' ' ' VAL . 1.2 t -110.04 149.53 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.59 -32.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -142.42 -178.78 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -135.84 147.54 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.46 111.48 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.03 32.12 1.03 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.706 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t -136.16 101.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 69' ' ' THR . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.811 HD13 HD11 ' A' ' 59' ' ' LEU . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.693 ' HB3' HD13 ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.479 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.472 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.657 ' HB3' HD12 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.599 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.581 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.532 ' H ' HD22 ' A' ' 52' ' ' LEU . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.811 HD11 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.581 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.701 HD22 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.701 HG23 HG23 ' A' ' 21' ' ' THR . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.13 171.66 24.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.33 -15.2 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.704 0.288 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 56.37 45.22 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -113.14 -80.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.5 m 55.67 87.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 tp -62.76 140.27 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -27.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.55 153.03 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -7.76 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.781 0.324 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 57.72 -168.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -85.37 -167.23 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.89 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.1 -162.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.03 -32.11 0.97 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -95.01 178.09 5.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -68.97 164.78 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 m -90.96 165.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -99.95 123.1 43.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 1.18 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.09 121.33 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -136.92 158.63 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -123.89 172.41 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -161.5 141.63 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.33 60.06 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -81.86 6.83 64.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER 52.14 -177.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.651 ' HB3' HD13 ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.449 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.574 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.688 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.588 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.574 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.734 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.688 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' HA ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.32 125.91 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -118.59 162.22 18.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -6.94 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.15 125.89 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 33.07 4.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -65.36 -29.53 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.63 112.06 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.57 136.4 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.53 150.76 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -63.57 149.42 46.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mttt 57.02 -166.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -35.24 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.65 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.09 -32.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.82 -91.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.54 -165.29 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.8 89.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.98 115.28 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.27 -34.55 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.54 177.81 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.47 122.77 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' HB2' HG13 ' A' ' 75' ' ' VAL . 43.0 p90 -104.8 -179.05 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.62 153.62 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.38 -164.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.95 29.69 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.95 145.61 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.452 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 HG23 ' HB ' ' A' ' 69' ' ' THR . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.652 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' HD12 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.606 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.581 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.54 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.752 ' HB2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.652 HD23 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' ARG . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.45 ' HB ' HG23 ' A' ' 21' ' ' THR . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.81 178.11 36.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.606 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 46.2 m-80 -138.27 -171.2 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -66.26 -44.09 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -70.68 164.39 25.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 77.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.43 145.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.57 21.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.15 147.41 30.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -80.55 153.63 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.943 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -69.87 -179.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -58.88 127.81 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -31.97 70.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.44 145.41 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 -32.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.66 149.87 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -79.72 177.77 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -96.66 13.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.66 120.86 42.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.29 15.46 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 p -64.16 146.62 53.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -131.04 95.84 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.03 163.15 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.75 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 1.3 mm100 -148.84 143.14 26.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.66 -168.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.66 51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.422 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 68' ' ' PRO . 7.1 p -171.46 148.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' HG ' ' H ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' H ' ' HG ' ' A' ' 19' ' ' SER . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.624 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.567 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.557 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.612 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.745 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.547 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.72 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.72 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.547 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.575 ' HB3' HG12 ' A' ' 18' ' ' VAL . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.75 ' HA3' ' HB2' ' A' ' 15' ' ' GLN . . . -162.06 173.0 38.33 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -153.47 166.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 55.04 43.36 29.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 59.06 -92.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 55.42 88.38 0.04 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.38 -178.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 108.98 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 56.84 85.11 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -66.96 120.65 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -62.88 166.21 5.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 58.01 -168.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -107.89 -80.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.12 -166.14 1.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.76 -45.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.85 82.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.37 159.41 17.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.65 131.33 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -66.29 114.24 5.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.66 6.22 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.67 153.05 44.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.75 3.91 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -146.19 167.33 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.49 97.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -112.35 40.52 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.87 -86.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.308 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.44 176.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 HD13 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.781 ' HB3' HD13 ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.621 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.827 ' HB2' HD11 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.689 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.757 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.827 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.56 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.424 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.409 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.786 HG21 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.786 ' HG3' HG21 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.689 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 16' ' ' ASN . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.437 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.33 107.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 125.62 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.7 mttt 55.95 86.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -69.19 169.84 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.5 m -107.83 64.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.44 105.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.56 120.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.12 163.75 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 56.46 32.99 21.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.771 0.32 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 55.04 -164.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmpp? 58.06 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.15 -170.79 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -78.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -82.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -108.84 165.39 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.89 -174.35 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.39 168.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 162.08 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.82 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 99.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.86 22.37 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.571 ' HD2' ' HG3' ' A' ' 15' ' ' GLN . 57.1 t80 -131.34 -84.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.571 ' HG3' ' HD2' ' A' ' 14' ' ' TYR . 38.6 mt-30 -65.68 -36.16 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.97 -89.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.75 -6.24 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t -122.9 148.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.491 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' O ' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 69' ' ' THR . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.787 HD13 HD11 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.715 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.498 ' N ' HD23 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.537 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.689 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.594 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.619 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 76' ' ' SER . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.509 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.11 121.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.537 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 14.2 m120 -118.79 -19.04 8.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mttm 56.3 26.53 10.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.68 -156.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.9 m 57.27 72.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.7 tp -102.07 145.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' N ' HG13 ' A' ' 82' ' ' ILE . 4.0 mp -85.54 116.56 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.41 -39.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.87 16.02 27.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.896 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -98.94 -176.62 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 -62.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -78.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.75 -174.55 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.06 -75.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.84 126.88 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -91.75 169.16 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.33 162.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.7 141.57 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.36 22.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -15.41 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.86 97.02 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -145.28 -171.86 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -157.18 160.89 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.19 -160.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.93 -5.67 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.574 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.487 HG13 ' HA ' ' A' ' 70' ' ' LYS . 1.8 m -132.16 163.42 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.549 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.771 ' HB3' HD13 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.43 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' HD23 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.628 ' HA ' HD21 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' CB ' HD11 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.726 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.695 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.549 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.622 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.466 ' H ' HG22 ' A' ' 18' ' ' VAL . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' HA ' HG13 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.14 -168.69 30.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 169.86 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.02 23.33 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.96 32.0 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 33.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.515 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.06 8.09 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 160.96 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.58 -174.99 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.9 8.99 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -102.68 -170.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -113.43 -80.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -174.02 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.72 -32.3 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.32 -65.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.08 -167.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -95.58 157.89 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.3 156.79 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -143.78 129.23 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -105.91 -44.03 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -89.61 169.16 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 93.8 m -95.93 97.13 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.06 141.68 46.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 122.51 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.621 ' HA ' HG11 ' A' ' 75' ' ' VAL . 7.4 p-10 -118.42 37.37 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.02 28.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 109.33 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB1' HD23 ' A' ' 40' ' ' LEU . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.628 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.744 ' HA ' HD21 ' A' ' 40' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.744 HD21 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.819 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.485 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.707 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.819 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.485 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.27 26.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -141.66 -178.52 5.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -49.42 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.426 ' HD2' HG22 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -113.1 -56.98 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 3.5 t 55.95 85.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 HG22 ' HD2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -113.31 125.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 113.22 6.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 -66.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -97.54 7.23 46.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -90.58 -163.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -58.21 151.83 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.81 -30.46 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.02 -79.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.7 -25.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -116.78 157.93 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 172.9 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 m -133.72 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -117.72 154.41 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.19 15.67 15.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 57.35 -170.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.274 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 39.3 t -118.88 136.06 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -146.81 165.57 29.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.95 94.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -69.68 83.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.38 9.03 38.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG11 ' HB3' ' A' ' 71' ' ' SER . 14.9 t 63.92 158.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.71 HD13 HD13 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.496 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.54 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' HD12 ' A' ' 26' ' ' ILE . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.608 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.566 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.643 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.557 ' SG ' ' HB1' ' A' ' 31' ' ' ALA . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' HG11 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 166.7 33.12 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.79 171.42 8.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -69.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.76 133.3 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.59 89.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -163.09 144.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -128.63 157.69 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.14 139.74 51.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 85' ' ' GLU . 5.5 pt-20 -73.14 144.59 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.916 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.8 p90 40.52 -160.48 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.921 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 -83.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.982 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.11 -79.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 -171.03 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -140.15 -79.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 171.99 9.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.43 -46.47 5.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.76 143.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -123.35 138.63 54.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.15 -72.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -107.95 154.45 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.01 162.3 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -113.23 168.76 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.734 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 12.8 mm-40 -153.76 133.27 12.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.49 -166.8 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.9 24.89 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 71' ' ' SER . 5.9 t -126.24 138.78 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' HB3' ' HG ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' HD12 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.858 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.561 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.576 ' HA ' HD21 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.823 HD12 ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' HB2' HD11 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.552 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.706 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.858 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.485 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.721 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.552 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.753 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.734 ' HA3' ' HB2' ' A' ' 15' ' ' GLN . . . -169.19 169.91 42.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.494 HD22 ' HG3' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -140.04 -10.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 56.15 83.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.29 19.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.96 54.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.7 -27.67 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 -83.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.95 -3.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -109.23 149.02 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -157.31 -179.67 8.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.85 -169.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.31 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.3 -164.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.28 -79.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.49 127.91 54.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.84 -165.5 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 m -111.05 27.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.84 156.41 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.92 -31.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.94 142.37 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.62 -1.08 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' C ' ' H ' ' A' ' 16' ' ' ASN . 1.0 OUTLIER -100.65 131.11 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 52.0 mt-30 72.9 -26.1 0.19 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.575 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 14' ' ' TYR . 12.0 t-20 56.59 -92.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.453 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 140.01 -18.53 2.93 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t -126.22 147.42 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.481 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.618 ' HA ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.664 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.485 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.743 ' HB2' HD11 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.795 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.456 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.44 146.88 16.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.11 15.23 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.687 0.279 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.79 96.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.79 91.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.7 t -111.38 68.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 tp -90.37 -27.3 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 96.69 10.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.58 -175.45 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 49.9 m-85 -131.84 121.19 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 43.78 -160.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.686 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.47 -19.64 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -28.96 70.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.79 -33.47 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.85 77.13 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -97.62 164.74 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 m -133.35 153.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -140.14 4.11 2.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.23 20.18 19.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -66.16 147.39 53.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.189 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 p -142.42 148.69 38.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -147.17 147.07 30.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.56 122.42 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -64.62 119.39 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.33 13.55 3.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG11 ' N ' ' A' ' 19' ' ' SER . 14.8 t 64.93 150.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.504 ' N ' HG11 ' A' ' 18' ' ' VAL . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 28' ' ' GLU . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.869 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.583 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.554 ' HA ' HD22 ' A' ' 40' ' ' LEU . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.554 HD22 ' HA ' ' A' ' 37' ' ' CYS . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.455 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.863 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.603 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.869 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.863 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.574 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.513 ' HA ' HD22 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.57 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' H ' HG22 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.84 167.98 29.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.455 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 9.0 m120 -133.69 -174.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HE2' ' HG2' ' A' ' 48' ' ' ARG . 5.0 mttm -64.69 -52.47 57.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 -73.45 105.54 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.64 13.25 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 83' ' ' LEU . 3.0 tp -130.61 145.43 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' N ' HG13 ' A' ' 82' ' ' ILE . 3.1 tp -153.24 157.77 40.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tp -145.99 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.85 167.83 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -72.9 -179.4 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -132.03 -17.97 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.75 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.65 -81.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 7' ' ' ASP . 2.4 t70 -147.35 -80.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -84.18 -175.39 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -73.41 179.62 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 m -71.66 169.09 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -70.66 117.66 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.02 -12.79 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.78 -173.93 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -76.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -149.28 136.93 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -172.63 -41.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.86 164.36 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.497 ' O ' HG21 ' A' ' 18' ' ' VAL . . . 120.09 -25.13 7.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.42 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 17' ' ' GLY . 1.9 m 47.77 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.629 ' HB3' ' HG1' ' A' ' 69' ' ' THR . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 59' ' ' LEU . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.491 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.5 ' N ' HD23 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.752 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.592 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.782 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.632 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.782 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.752 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.592 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.404 ' HB3' ' HG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.03 -165.61 36.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -119.09 -78.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -165.97 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -93.22 -177.84 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.37 90.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.404 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -86.03 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -132.46 142.68 49.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.36 171.24 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -94.26 108.83 20.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.967 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.763 0.316 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.41 -173.4 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 57.48 -166.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -177.42 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 22.6 t70 61.94 171.77 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -133.83 -38.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.952 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.01 167.26 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.61 -78.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 m -99.6 170.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -69.45 112.91 6.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.46 -18.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -137.71 166.93 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.9 m 56.54 -163.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' HD2' ' HB2' ' A' ' 15' ' ' GLN . 65.8 t80 -115.15 -83.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB2' ' HD2' ' A' ' 14' ' ' TYR . 1.7 mt-30 -112.53 99.67 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -92.95 93.72 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 150.74 -54.06 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.554 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.08 149.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' CD2' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.462 HG23 ' HB ' ' A' ' 69' ' ' THR . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.651 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.602 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' HD23 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.42 ' HB2' HD12 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.763 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.651 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.814 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.763 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.619 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.619 ' H ' HG21 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 -165.26 37.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -95.16 -178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -78.11 -4.61 48.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -92.14 32.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.2 m -105.14 18.13 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 82' ' ' ILE . 1.1 pp -111.64 13.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 131.18 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -16.61 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -95.5 26.23 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -90.1 -167.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.86 -170.6 0.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -79.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 -32.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -161.94 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.82 -65.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -176.71 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.64 161.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -141.29 112.29 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.54 10.01 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -96.87 130.45 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.92 156.15 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.23 138.47 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -150.97 116.16 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -84.49 66.02 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' H ' ' HG ' ' A' ' 76' ' ' SER . . . -90.01 15.51 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.594 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m 46.95 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 HD11 ' HB3' ' A' ' 46' ' ' LYS . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.509 ' N ' HD21 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' SG ' HD11 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.464 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HB3' HD11 ' A' ' 26' ' ' ILE . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.584 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 53' ' ' ALA . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.55 ' SG ' ' HB1' ' A' ' 31' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB3' ' HD2' ' A' ' 68' ' ' PRO . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' H ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.594 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' HG ' ' H ' ' A' ' 17' ' ' GLY . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.2 102.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 3.5 p-10 -132.62 176.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.693 0.282 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 98.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -18.73 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.2 m 55.92 69.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.4 tp -144.53 142.69 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' N ' HG13 ' A' ' 82' ' ' ILE . 9.3 tp -155.67 -35.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.54 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 147.69 30.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -85.8 -166.15 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.13 -171.81 3.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -29.98 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 59.31 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.413 ' HB3' ' H ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -120.59 -81.97 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.93 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.413 ' H ' ' HB3' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -146.5 169.98 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -83.47 -76.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.57 97.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -149.26 -176.29 5.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt 56.09 82.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.58 -168.32 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 81' ' ' CYS . 7.7 t -73.91 -5.51 41.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -94.43 139.36 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.431 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 6.9 mm-40 -143.51 123.58 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.05 35.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -74.77 -5.58 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 19' ' ' SER . 2.9 m 45.61 -165.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 122.52 0.328 . . . . 0.0 111.821 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.777 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 69' ' ' THR . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.642 HD13 HD13 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.491 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.53 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CB ' HD12 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.66 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' N ' ' A' ' 53' ' ' ALA . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.563 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.684 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.66 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.408 HG23 HG22 ' A' ' 21' ' ' THR . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.777 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 70' ' ' LYS . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.431 ' HA3' ' HB2' ' A' ' 15' ' ' GLN . . . -164.22 -171.5 30.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.23 175.25 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 28.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.21 36.63 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -108.85 23.55 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -31.45 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -178.44 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.16 -52.14 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -81.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.02 175.66 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.04 -176.87 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -140.61 -79.71 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.94 -80.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -27.51 12.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.0 104.88 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -79.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 m -111.92 171.53 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.03 103.14 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.84 24.47 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -10.18 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -96.03 -173.74 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CD1' ' HA3' ' A' ' 77' ' ' GLY . 2.8 t80 -140.12 140.31 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -144.73 -8.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' HB3' ' H ' ' A' ' 17' ' ' GLY . 10.5 t30 56.09 -93.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 161.73 -39.9 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.759 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER -128.41 176.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' LEU . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 57' ' ' CYS . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 HE22 ' HB3' ' A' ' 80' ' ' ARG . 14.6 mm-40 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.649 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.649 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.628 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.628 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.624 HG22 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.624 ' H ' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.661 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' HA3' ' CD1' ' A' ' 14' ' ' TYR . . . -145.51 147.99 19.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.05 -6.55 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -154.1 89.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -62.93 168.25 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 65.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 83' ' ' LEU . 2.7 tp -111.44 142.62 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -135.49 131.58 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.89 147.13 35.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.26 112.63 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.74 0.305 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -69.04 174.27 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 122.99 17.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -29.26 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.417 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 4.6 t70 -114.0 -83.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -147.59 -35.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.68 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 159.18 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.17 172.66 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -114.44 30.69 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.33 9.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 126.22 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 -0.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' HD1' ' HG3' ' A' ' 15' ' ' GLN . 1.4 t80 -111.09 156.52 21.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' HG3' ' HD1' ' A' ' 14' ' ' TYR . 70.4 mt-30 59.44 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.42 101.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.8 -0.21 4.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.613 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG13 ' H ' ' A' ' 69' ' ' THR . 48.0 t 66.17 145.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 HG23 HG23 ' A' ' 69' ' ' THR . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.576 HD13 HD13 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.643 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HG ' ' A' ' 40' ' ' LEU . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.477 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.785 ' HB2' HD11 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.758 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.758 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.574 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' H ' ' HB1' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.484 HG21 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' H ' HG21 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG21 HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.15 139.18 6.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -146.41 157.13 43.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -29.6 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -130.92 131.04 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.1 m -98.81 -54.1 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.71 110.63 18.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.089 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.31 136.35 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 152.88 35.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -130.59 16.22 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.935 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.856 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.674 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.856 HG21 ' HB2' ' A' ' 20' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 34' ' ' SER . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.526 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.731 HD11 HD12 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.857 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.601 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.857 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 65' ' ' ALA . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.636 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.781 ' HB3' HD13 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HB2' HD13 ' A' ' 59' ' ' LEU . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 67' ' ' ARG . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 19' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 18' ' ' VAL . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.824 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.817 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.75 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.587 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.772 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.75 HG21 ' HB2' ' A' ' 20' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.535 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG23 ' C ' ' A' ' 70' ' ' LYS . 7.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.557 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.682 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' HD13 ' A' ' 59' ' ' LEU . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.768 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.736 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.538 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.599 ' C ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HG23 ' A' ' 51' ' ' THR . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' HB2' HD13 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.555 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.771 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.862 HG22 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 52' ' ' LEU . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.714 HD11 HD12 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.566 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HB2' HD13 ' A' ' 59' ' ' LEU . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' ' 66' ' ' LEU . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' H ' HG23 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 70' ' ' LYS . 1.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.643 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.734 HD11 HD12 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.795 ' HA ' HD13 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' O ' HD23 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' CB ' HD13 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.828 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.747 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.691 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.643 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' H ' HG21 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.687 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.634 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HD13 ' A' ' 52' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.807 HG23 ' HB3' ' A' ' 76' ' ' SER . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.716 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 52' ' ' LEU . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.833 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.563 HG23 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 71' ' ' SER . 14.9 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.65 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 52' ' ' LEU . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.75 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.614 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.656 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.75 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HG13 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 71' ' ' SER . 5.9 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.765 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.706 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.847 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 20' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' HD23 ' A' ' 52' ' ' LEU . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.847 HD13 ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.541 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.799 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.569 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.63 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.638 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HB3' HG13 ' A' ' 26' ' ' ILE . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HB2' HD13 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 76' ' ' SER . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.578 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 69' ' ' THR . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.799 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.639 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 59' ' ' LEU . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.88 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.88 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HA ' HD21 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 19' ' ' SER . 1.9 m . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 18' ' ' VAL . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' ' 67' ' ' ARG . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 46' ' ' LYS . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.738 ' HA ' HD13 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.767 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.621 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' HD1' ' A' ' 20' ' ' PHE . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.697 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.756 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.568 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.614 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.756 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.548 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 76' ' ' SER . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.83 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.776 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 66' ' ' LEU . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.78 ' HB3' HG23 ' A' ' 51' ' ' THR . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.572 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 ' SG ' ' A' ' 37' ' ' CYS . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.501 ' H ' HG23 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.601 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.775 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 111.821 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.808 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.621 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.737 HG23 ' HB3' ' A' ' 76' ' ' SER . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 34' ' ' SER . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.579 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 66' ' ' LEU . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 60' ' ' PHE . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.737 ' HB3' HG23 ' A' ' 51' ' ' THR . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.695 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' H ' ' HA ' ' A' ' 66' ' ' LEU . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.614 ' HB2' HD12 ' A' ' 26' ' ' ILE . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.564 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.726 ' HA ' HD23 ' A' ' 40' ' ' LEU . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CB ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.626 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.521 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.718 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.644 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.577 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.716 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' HG23 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.728 0.299 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 57.36 -166.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -91.82 -5.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.73 -22.91 49.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -30.21 71.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.81 142.91 34.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.36 159.46 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.29 153.85 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 127.19 35.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.67 -14.21 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.71 118.37 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.58 51.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -110.81 160.41 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.19 108.76 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -71.97 104.57 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 71' ' ' SER . . . -140.23 -78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.561 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -154.01 148.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.856 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.674 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.856 HG21 ' HB2' ' A' ' 20' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 34' ' ' SER . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.526 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.21 -177.18 23.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -133.95 -175.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -50.67 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -102.75 152.41 21.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.62 -59.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -122.92 106.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.084 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.5 153.97 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.84 76.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -157.57 148.06 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.878 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -76.41 -168.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 119.4 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.72 -170.49 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.73 159.13 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -79.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -63.2 1.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -177.74 3.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.56 -27.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.62 123.06 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.26 -23.93 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.9 p -76.59 153.69 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 p -142.57 -4.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -139.05 6.82 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HA ' HG12 ' A' ' 75' ' ' VAL . 28.9 mt-30 -111.03 -19.74 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' A' ' 17' ' ' GLY . 1.6 t30 57.64 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 122.61 31.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.584 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -163.18 141.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.731 HD11 HD12 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.857 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.601 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.857 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.2 148.08 19.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -137.14 -15.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.96 94.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' HD2' HD11 ' A' ' 82' ' ' ILE . 5.2 mtm180 -61.4 128.37 36.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 47.27 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.405 HD11 ' HD2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -104.09 -22.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 109.01 5.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 57.44 -165.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.62 -7.47 14.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.11 -174.0 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -82.3 -174.56 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.36 -31.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.8 171.18 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.51 -33.44 9.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.08 -70.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -132.63 -177.92 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 m -63.78 139.78 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -96.35 71.96 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 55.79 33.81 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -110.04 149.53 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.59 -32.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -142.42 -178.78 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -135.84 147.54 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.46 111.48 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.03 32.12 1.03 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.706 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t -136.16 101.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 65' ' ' ALA . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.636 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.781 ' HB3' HD13 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HB2' HD13 ' A' ' 59' ' ' LEU . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 67' ' ' ARG . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.13 171.66 24.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.33 -15.2 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.704 0.288 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 56.37 45.22 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -113.14 -80.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.5 m 55.67 87.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 tp -62.76 140.27 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -27.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.55 153.03 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -7.76 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.781 0.324 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 57.72 -168.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -85.37 -167.23 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.89 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.1 -162.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.03 -32.11 0.97 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -95.01 178.09 5.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -68.97 164.78 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 m -90.96 165.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -99.95 123.1 43.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 1.18 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.09 121.33 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -136.92 158.63 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -123.89 172.41 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -161.5 141.63 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.33 60.06 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -81.86 6.83 64.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER 52.14 -177.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 18' ' ' VAL . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.824 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.817 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.32 125.91 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -118.59 162.22 18.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -6.94 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.15 125.89 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 33.07 4.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -65.36 -29.53 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.63 112.06 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.57 136.4 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.53 150.76 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -63.57 149.42 46.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mttt 57.02 -166.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -35.24 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.65 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.09 -32.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.82 -91.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.54 -165.29 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.8 89.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.98 115.28 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.27 -34.55 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.54 177.81 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.47 122.77 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -104.8 -179.05 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.62 153.62 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.38 -164.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.95 29.69 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.95 145.61 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.75 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.587 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.772 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.75 HG21 ' HB2' ' A' ' 20' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.81 178.11 36.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.616 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 21.3 m120 -138.27 -171.2 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -66.26 -44.09 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -70.68 164.39 25.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 77.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -101.43 145.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.57 21.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.15 147.41 30.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -80.55 153.63 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.943 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -69.87 -179.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -58.88 127.81 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -31.97 70.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.44 145.41 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 -32.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.66 149.87 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -79.72 177.77 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -96.66 13.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.66 120.86 42.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.29 15.46 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 p -64.16 146.62 53.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -131.04 95.84 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.03 163.15 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.774 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 1.3 mm100 -148.84 143.14 26.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.66 -168.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.66 51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.422 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG23 ' C ' ' A' ' 70' ' ' LYS . 7.1 p -171.46 148.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.557 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.682 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HG3' HG21 ' A' ' 82' ' ' ILE . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' HD13 ' A' ' 59' ' ' LEU . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.768 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.736 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.538 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.599 ' C ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HG23 ' A' ' 51' ' ' THR . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.774 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -162.06 173.0 38.33 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -153.47 166.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 55.04 43.36 29.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 59.06 -92.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 55.42 88.38 0.04 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG21 ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -111.38 -178.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 108.98 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 56.84 85.11 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -66.96 120.65 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -62.88 166.21 5.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 58.01 -168.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -107.89 -80.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.12 -166.14 1.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.76 -45.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.85 82.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.37 159.41 17.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.65 131.33 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -66.29 114.24 5.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.66 6.22 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.67 153.05 44.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.75 3.91 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -146.19 167.33 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.49 97.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -112.35 40.52 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.87 -86.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.308 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -138.44 176.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' HB2' HD13 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.555 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.771 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.862 HG22 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 52' ' ' LEU . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 16' ' ' ASN . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.33 107.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 125.62 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.7 mttt 55.95 86.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -69.19 169.84 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.5 m -107.83 64.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.44 105.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.56 120.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.12 163.75 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 56.46 32.99 21.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.771 0.32 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 55.04 -164.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmpp? 58.06 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.15 -170.79 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -78.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -82.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -108.84 165.39 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.89 -174.35 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.39 168.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 162.08 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.82 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 99.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.86 22.37 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HD2' ' HG3' ' A' ' 15' ' ' GLN . 57.1 t80 -131.34 -84.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.584 ' HG3' ' HD2' ' A' ' 14' ' ' TYR . 38.6 mt-30 -65.68 -36.16 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.97 -89.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.75 -6.24 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t -122.9 148.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.714 HD11 HD12 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.566 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HB2' HD13 ' A' ' 59' ' ' LEU . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.547 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' ' 66' ' ' LEU . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' H ' HG23 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.11 121.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.547 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 20.1 m-80 -118.79 -19.04 8.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mttm 56.3 26.53 10.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.68 -156.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.9 m 57.27 72.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.7 tp -102.07 145.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' N ' HG13 ' A' ' 82' ' ' ILE . 4.0 mp -85.54 116.56 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.41 -39.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.87 16.02 27.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.896 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -98.94 -176.62 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 -62.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -78.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.75 -174.55 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.06 -75.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.84 126.88 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -91.75 169.16 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.33 162.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.7 141.57 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.36 22.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -15.41 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.86 97.02 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -145.28 -171.86 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -157.18 160.89 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.19 -160.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 18' ' ' VAL . . . -166.93 -5.67 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 70' ' ' LYS . 1.8 m -132.16 163.42 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.643 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.734 HD11 HD12 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.795 ' HA ' HD13 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' O ' HD23 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' CB ' HD13 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.828 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.747 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.691 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.643 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' H ' HG21 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.14 -168.69 30.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 169.86 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.02 23.33 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.96 32.0 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 33.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.06 8.09 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -69.06 160.96 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -130.58 -174.99 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.9 8.99 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -102.68 -170.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -113.43 -80.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -174.02 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.72 -32.3 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.32 -65.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.08 -167.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -95.58 157.89 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.3 156.79 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -143.78 129.23 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -105.91 -44.03 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -89.61 169.16 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 93.8 m -95.93 97.13 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.06 141.68 46.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 122.51 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 75' ' ' VAL . 7.4 p-10 -118.42 37.37 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.02 28.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 109.33 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.634 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HD13 ' A' ' 52' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.807 HG23 ' HB3' ' A' ' 76' ' ' SER . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.716 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 52' ' ' LEU . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.833 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG23 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.27 26.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -141.66 -178.52 5.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -49.42 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -56.98 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 3.5 t 55.95 85.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -113.31 125.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 113.22 6.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 -66.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -97.54 7.23 46.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -90.58 -163.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -58.21 151.83 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.81 -30.46 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.02 -79.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.7 -25.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -116.78 157.93 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 172.9 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 m -133.72 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -117.72 154.41 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.19 15.67 15.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 57.35 -170.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.274 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' H ' HG22 ' A' ' 12' ' ' THR . 39.3 t -118.88 136.06 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -146.81 165.57 29.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.95 94.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -69.68 83.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.38 9.03 38.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 71' ' ' SER . 14.9 t 63.92 158.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.65 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 52' ' ' LEU . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.75 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.656 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.75 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HG13 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' A' ' 16' ' ' ASN . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 166.7 33.12 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.79 171.42 8.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -69.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.76 133.3 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.59 89.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -163.09 144.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -128.63 157.69 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.14 139.74 51.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 5.5 pt-20 -73.14 144.59 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.916 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.8 p90 40.52 -160.48 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.921 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 -83.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.982 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.11 -79.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 -171.03 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -140.15 -79.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 171.99 9.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.43 -46.47 5.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.76 143.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -123.35 138.63 54.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.15 -72.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -107.95 154.45 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.01 162.3 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -113.23 168.76 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.758 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 12.8 mm-40 -153.76 133.27 12.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.49 -166.8 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.9 24.89 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 71' ' ' SER . 5.9 t -126.24 138.78 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.765 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.706 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.847 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 20' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' HD23 ' A' ' 52' ' ' LEU . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.847 HD13 ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.541 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.758 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -169.19 169.91 42.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.04 -10.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 56.15 83.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.29 19.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.96 54.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.7 -27.67 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 -83.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.95 -3.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -109.23 149.02 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -157.31 -179.67 8.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.85 -169.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.31 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.3 -164.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.28 -79.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.49 127.91 54.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.84 -165.5 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 m -111.05 27.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.84 156.41 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.92 -31.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.94 142.37 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.62 -1.08 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -100.65 131.11 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' HG3' ' HD1' ' A' ' 14' ' ' TYR . 52.0 mt-30 72.9 -26.1 0.19 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.575 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' TYR . 12.0 t-20 56.59 -92.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.01 -18.53 2.93 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.799 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t -126.22 147.42 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.569 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.63 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.638 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HB3' HG13 ' A' ' 26' ' ' ILE . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HB2' HD13 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 76' ' ' SER . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.578 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 69' ' ' THR . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.799 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.44 146.88 16.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.11 15.23 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.687 0.279 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.79 96.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.79 91.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.7 t -111.38 68.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 tp -90.37 -27.3 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 96.69 10.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.58 -175.45 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 49.9 m-85 -131.84 121.19 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 43.78 -160.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.686 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.47 -19.64 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -28.96 70.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.79 -33.47 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.85 77.13 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -97.62 164.74 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 m -133.35 153.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -140.14 4.11 2.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.23 20.18 19.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -66.16 147.39 53.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.189 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 p -142.42 148.69 38.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' HG11 ' A' ' 75' ' ' VAL . 42.0 p90 -147.17 147.07 30.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.56 122.42 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -64.62 119.39 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.33 13.55 3.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t 64.93 150.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.639 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 59' ' ' LEU . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.88 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.88 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HA ' HD21 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 14' ' ' TYR . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.84 167.98 29.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 9.0 m120 -133.69 -174.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HE2' ' HG2' ' A' ' 48' ' ' ARG . 5.0 mttm -64.69 -52.47 57.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 -73.45 105.54 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.64 13.25 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 83' ' ' LEU . 3.0 tp -130.61 145.43 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' N ' HG13 ' A' ' 82' ' ' ILE . 3.1 tp -153.24 157.77 40.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tp -145.99 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.85 167.83 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -72.9 -179.4 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -132.03 -17.97 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.75 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.65 -81.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.35 -80.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.18 -175.39 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -73.41 179.62 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 m -71.66 169.09 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -70.66 117.66 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.02 -12.79 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.78 -173.93 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -76.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -149.28 136.93 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HA ' HG23 ' A' ' 75' ' ' VAL . 3.7 pt20 -172.63 -41.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.86 164.36 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' HG22 ' A' ' 18' ' ' VAL . . . 120.09 -25.13 7.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.42 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' GLY . 1.9 m 47.77 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 18' ' ' VAL . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' ' 67' ' ' ARG . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 46' ' ' LYS . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.738 ' HA ' HD13 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.767 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' HD1' ' A' ' 20' ' ' PHE . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 15' ' ' GLN . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.03 -165.61 36.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -119.09 -78.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 13.8 tptp -165.97 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -93.22 -177.84 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.37 90.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.507 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.6 OUTLIER -86.03 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -132.46 142.68 49.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.36 171.24 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -94.26 108.83 20.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.967 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.763 0.316 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.41 -173.4 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 57.48 -166.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -177.42 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 22.6 t70 61.94 171.77 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -133.83 -38.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.952 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.01 167.26 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.61 -78.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 m -99.6 170.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -69.45 112.91 6.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.46 -18.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -137.71 166.93 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.9 m 56.54 -163.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' GLN . 65.8 t80 -115.15 -83.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HB2' ' HD2' ' A' ' 14' ' ' TYR . 1.7 mt-30 -112.53 99.67 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -92.95 93.72 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . 150.74 -54.06 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.08 149.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.697 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.756 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.568 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.614 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.756 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.548 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 76' ' ' SER . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.83 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.776 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 66' ' ' LEU . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 17' ' ' GLY . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.78 ' HB3' HG23 ' A' ' 51' ' ' THR . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 -165.26 37.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.16 -178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -78.11 -4.61 48.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -92.14 32.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.2 m -105.14 18.13 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.64 13.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 131.18 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -16.61 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -95.5 26.23 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -90.1 -167.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.86 -170.6 0.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -79.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 -32.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -161.94 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.82 -65.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -176.71 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.64 161.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -141.29 112.29 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.54 10.01 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -96.87 130.45 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.92 156.15 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.23 138.47 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -150.97 116.16 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -84.49 66.02 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -90.01 15.51 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m 46.95 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.572 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.495 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 ' SG ' ' A' ' 37' ' ' CYS . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' H ' HG23 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.601 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.2 102.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 3.5 p-10 -132.62 176.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.693 0.282 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 98.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -18.73 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.2 m 55.92 69.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.4 tp -144.53 142.69 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' N ' HG13 ' A' ' 82' ' ' ILE . 9.3 tp -155.67 -35.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.54 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 147.69 30.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -85.8 -166.15 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.13 -171.81 3.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -29.98 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 59.31 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -81.97 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.5 169.98 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -83.47 -76.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.57 97.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -149.26 -176.29 5.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt 56.09 82.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.58 -168.32 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 81' ' ' CYS . 7.7 t -73.91 -5.51 41.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -94.43 139.36 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 6.9 mm-40 -143.51 123.58 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.05 35.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -74.77 -5.58 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.775 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 2.9 m 45.61 -165.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 122.52 0.328 . . . . 0.0 111.821 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.808 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.621 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.737 HG23 ' HB3' ' A' ' 76' ' ' SER . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 34' ' ' SER . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.579 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 66' ' ' LEU . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 60' ' ' PHE . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.737 ' HB3' HG23 ' A' ' 51' ' ' THR . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -164.22 -171.5 30.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.23 175.25 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 28.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.21 36.63 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -108.85 23.55 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -31.45 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -178.44 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.16 -52.14 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -81.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.02 175.66 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.04 -176.87 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -140.61 -79.71 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.94 -80.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -27.51 12.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.0 104.88 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -79.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 m -111.92 171.53 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.03 103.14 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.84 24.47 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -10.18 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -96.03 -173.74 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 2.8 t80 -140.12 140.31 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HB2' HG12 ' A' ' 75' ' ' VAL . 12.1 pt20 -144.73 -8.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' A' ' 17' ' ' GLY . 10.5 t30 56.09 -93.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 161.73 -39.9 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.759 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.695 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER -128.41 176.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' H ' ' HA ' ' A' ' 66' ' ' LEU . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.614 ' HB2' HD12 ' A' ' 26' ' ' ILE . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.564 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.726 ' HA ' HD23 ' A' ' 40' ' ' LEU . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CB ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.626 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.718 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 14' ' ' TYR . . . -145.51 147.99 19.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.05 -6.55 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -154.1 89.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HD3' ' H ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -62.93 168.25 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 65.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 83' ' ' LEU . 2.7 tp -111.44 142.62 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -135.49 131.58 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.89 147.13 35.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.26 112.63 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.74 0.305 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -69.04 174.27 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.13 122.99 17.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -29.26 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 4.6 t70 -114.0 -83.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -147.59 -35.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.68 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 159.18 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.17 172.66 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -114.44 30.69 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.33 9.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 126.22 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 -0.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' HD1' ' HG3' ' A' ' 15' ' ' GLN . 1.4 t80 -111.09 156.52 21.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' HG3' ' HD1' ' A' ' 14' ' ' TYR . 70.4 mt-30 59.44 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.42 101.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.8 -0.21 4.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.613 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t 66.17 145.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.644 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.716 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' HG23 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.15 139.18 6.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -146.41 157.13 43.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -29.6 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -130.92 131.04 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.1 m -98.81 -54.1 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.71 110.63 18.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.089 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.31 136.35 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 152.88 35.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -130.59 16.22 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.935 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.856 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.674 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.856 HG21 ' HB2' ' A' ' 20' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 34' ' ' SER . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.526 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.731 HD11 HD12 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.857 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.601 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.857 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 65' ' ' ALA . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.636 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.781 ' HB3' HD13 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HB2' HD13 ' A' ' 59' ' ' LEU . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 67' ' ' ARG . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 19' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 18' ' ' VAL . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.744 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.824 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.817 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.75 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.587 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.772 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.75 HG21 ' HB2' ' A' ' 20' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.535 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG23 ' C ' ' A' ' 70' ' ' LYS . 7.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.557 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.682 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' HD13 ' A' ' 59' ' ' LEU . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.768 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.736 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.538 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.599 ' C ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HG23 ' A' ' 51' ' ' THR . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' HB2' HD13 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.555 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.771 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.862 HG22 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 52' ' ' LEU . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.714 HD11 HD12 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.566 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HB2' HD13 ' A' ' 59' ' ' LEU . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' ' 66' ' ' LEU . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' H ' HG23 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 70' ' ' LYS . 1.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.643 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.734 HD11 HD12 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.795 ' HA ' HD13 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' O ' HD23 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' CB ' HD13 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.828 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.747 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.691 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.643 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' H ' HG21 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.687 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.634 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HD13 ' A' ' 52' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.833 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.807 HG23 ' HB3' ' A' ' 76' ' ' SER . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.492 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.716 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 52' ' ' LEU . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.833 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.563 HG23 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 71' ' ' SER . 14.9 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.65 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 52' ' ' LEU . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.75 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.614 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.656 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.75 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HG13 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 71' ' ' SER . 5.9 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.765 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.706 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.847 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 20' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' HD23 ' A' ' 52' ' ' LEU . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.847 HD13 ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.541 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.799 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.574 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.569 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.63 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.638 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HB3' HG13 ' A' ' 26' ' ' ILE . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HB2' HD13 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 76' ' ' SER . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.578 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 69' ' ' THR . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.799 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.639 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 59' ' ' LEU . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.88 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.88 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HA ' HD21 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 19' ' ' SER . 1.9 m . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 18' ' ' VAL . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' ' 67' ' ' ARG . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 46' ' ' LYS . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.738 ' HA ' HD13 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.767 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.621 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' HD1' ' A' ' 20' ' ' PHE . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.697 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.756 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.568 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.614 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.756 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.548 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 76' ' ' SER . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.83 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.776 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.559 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 66' ' ' LEU . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.78 ' HB3' HG23 ' A' ' 51' ' ' THR . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.572 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 ' SG ' ' A' ' 37' ' ' CYS . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.501 ' H ' HG23 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.601 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.775 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 2.9 m . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.778 0.323 . . . . 0.0 111.821 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.808 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.621 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.737 HG23 ' HB3' ' A' ' 76' ' ' SER . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 34' ' ' SER . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.579 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 66' ' ' LEU . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 60' ' ' PHE . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.737 ' HB3' HG23 ' A' ' 51' ' ' THR . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.695 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' H ' ' HA ' ' A' ' 66' ' ' LEU . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.614 ' HB2' HD12 ' A' ' 26' ' ' ILE . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.564 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.726 ' HA ' HD23 ' A' ' 40' ' ' LEU . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CB ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.626 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.521 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.718 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.644 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.577 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.716 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' HG23 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.728 0.299 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 57.36 -166.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -91.82 -5.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.59 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.73 -22.91 49.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.18 -30.21 71.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.81 142.91 34.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.36 159.46 15.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 m -133.29 153.85 38.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.87 127.19 35.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.67 -14.21 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.71 118.37 27.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.58 51.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -110.81 160.41 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.19 108.76 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -71.97 104.57 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 71' ' ' SER . . . -140.23 -78.52 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.561 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -154.01 148.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.227 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 15.0 m -68.68 -169.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.856 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -141.34 152.24 44.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 111.397 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -165.69 170.75 13.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.95 9.66 41.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.491 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -94.16 -159.88 34.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.524 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.91 55.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.61 135.67 57.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -104.09 -10.17 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.778 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -173.22 138.33 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.629 179.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.91 143.32 46.86 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -108.78 172.96 6.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 51.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.689 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.527 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -97.41 179.33 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.261 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -28.7 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.3 141.45 50.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.791 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.674 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.05 -26.9 29.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -52.16 -51.41 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.87 71.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.519 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.4 m -72.86 -22.96 60.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -78.49 -38.61 40.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -37.45 78.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.04 -36.88 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.345 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -31.07 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -32.69 74.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.615 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.61 -18.69 61.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -98.02 128.66 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.63 16.77 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.7 8.74 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -102.19 143.71 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -146.07 -44.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.688 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -126.36 90.77 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.635 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.741 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 39.4 p90 -70.5 174.3 5.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.041 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.856 HG21 ' HB2' ' A' ' 20' ' ' PHE . 23.5 m -162.21 98.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 34' ' ' SER . 3.2 tp -87.69 151.45 22.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -123.88 -159.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.798 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -21.92 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.88 38.9 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.547 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -159.99 119.19 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.326 . . . . 0.0 111.05 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.7 m -83.06 157.49 22.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.526 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -148.4 101.22 3.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -88.26 132.28 34.45 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 84.1 m-85 -120.91 138.55 54.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.363 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.47 -34.61 47.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.005 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.18 168.94 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' HA ' HD21 ' A' ' 66' ' ' LEU . 3.6 m-20 -86.9 141.16 28.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.06 -78.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -139.32 9.4 2.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.6 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -60.17 102.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -109.47 163.91 15.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' SER . 44.7 Cg_endo -67.61 -179.1 1.81 Allowed 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.624 2.216 . . . . 0.0 112.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 t -160.36 -33.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' HG12 ' A' ' 18' ' ' VAL . 2.4 tptm -161.11 161.61 31.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -118.42 12.51 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.16 90.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.24 32.92 85.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.47 125.3 36.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.87 101.65 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 51' ' ' THR . 9.5 p -105.97 162.1 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.21 -177.18 23.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -133.95 -175.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.53 -50.67 62.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -102.75 152.41 21.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.62 -59.71 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.434 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -122.92 106.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.084 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.5 153.97 44.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.84 76.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -157.57 148.06 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.878 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -76.41 -168.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.773 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 119.4 7.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.72 -170.49 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.73 159.13 15.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.94 -79.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -63.2 1.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -177.74 3.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.56 -27.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.62 123.06 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.26 -23.93 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.9 p -76.59 153.69 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 p -142.57 -4.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -139.05 6.82 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HA ' HG12 ' A' ' 75' ' ' VAL . 9.6 mt-30 -111.03 -19.74 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' A' ' 17' ' ' GLY . 1.6 t30 57.64 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 122.61 31.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.584 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -163.18 141.64 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.79 163.95 24.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.55 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.5 m-85 -115.35 155.54 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.082 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -160.43 172.37 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.6 -53.43 4.56 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.86 172.9 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.424 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -105.74 103.01 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.858 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.83 122.05 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.731 HD11 HD12 ' A' ' 59' ' ' LEU . 1.9 pp -59.54 -23.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.0 110.569 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -167.17 150.44 6.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.512 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 140.1 41.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.821 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -122.05 97.45 5.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HG2' ' HG3' ' A' ' 56' ' ' LYS . 13.7 mtpt -58.14 93.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.61 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.37 149.39 51.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.276 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.54 -1.71 58.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.8 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 p -145.06 137.85 26.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.766 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -56.71 -27.44 59.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.29 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.785 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.02 -29.65 69.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 18.0 t -77.92 -20.88 52.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -75.77 -45.06 38.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.489 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.08 -37.59 72.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.33 -54.95 24.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.266 179.446 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.88 -32.23 65.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.992 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.29 -32.59 74.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -87.89 20.68 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.9 139.28 53.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.21 -35.53 20.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.8 mmmt -82.44 7.96 12.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -89.24 128.66 35.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -56.13 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.49 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 28.5 m-85 -115.28 86.78 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 6.9 p90 -70.15 162.1 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 98.8 m -158.35 91.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.857 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -82.9 163.19 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.601 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.64 -161.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -21.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.2 38.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.576 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HG3' ' HG2' ' A' ' 30' ' ' LYS . 40.0 tttt -164.89 119.86 1.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.857 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -93.72 149.58 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.576 179.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.8 m -148.39 115.39 6.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -98.22 138.58 35.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 21.0 m-85 -125.15 124.94 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.95 -91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.587 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -114.42 3.57 15.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.258 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.1 138.95 53.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.31 1.29 7.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.09 17.71 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.051 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD22 ' CD2' ' A' ' 60' ' ' PHE . 0.4 OUTLIER -100.56 114.24 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -109.65 163.19 17.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.3 167.79 24.12 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.264 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -137.01 -67.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.22 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 69' ' ' THR . 0.9 OUTLIER -150.91 166.33 30.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.988 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 1.1 p -112.3 56.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.13 47.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.2 33.3 20.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -98.1 147.14 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -126.01 154.63 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.34 149.0 18.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.2 148.08 19.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.592 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -137.14 -15.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.96 94.55 0.84 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.978 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' HD2' HD11 ' A' ' 82' ' ' ILE . 5.2 mtm180 -61.4 128.37 36.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 47.27 0.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.405 HD11 ' HD2' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -104.09 -22.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.54 109.01 5.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 57.44 -165.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -110.62 -7.47 14.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.896 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -137.11 -174.0 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -82.3 -174.56 5.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.36 -31.17 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.8 171.18 14.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.51 -33.44 9.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.08 -70.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -132.63 -177.92 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 m -63.78 139.78 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -96.35 71.96 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp 55.79 33.81 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -110.04 149.53 29.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.59 -32.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -142.42 -178.78 5.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -135.84 147.54 48.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.46 111.48 18.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.03 32.12 1.03 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.706 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.0 t -136.16 101.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.771 0.32 . . . . 0.0 111.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -89.09 129.06 35.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -90.08 152.41 21.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t -167.08 171.22 11.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.22 -46.82 3.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.436 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 65' ' ' ALA . . . -79.82 176.02 54.81 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.304 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.35 128.87 37.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.966 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.781 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.1 pp -62.17 -20.75 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.051 0.453 . . . . 0.0 110.562 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 25.6 t -169.77 140.54 2.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.623 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 140.84 52.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.501 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.16 98.4 6.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.324 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -59.76 89.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.637 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.72 157.28 43.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.311 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.81 -1.93 48.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.766 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.0 p -143.32 136.64 28.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.738 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.9 OUTLIER -56.9 -30.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -44.73 66.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.76 -29.6 69.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.742 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 15.6 t -75.47 -25.77 57.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.361 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.3 mt-30 -72.77 -47.07 49.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.501 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -68.61 -34.72 76.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.409 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.56 -57.64 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.636 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.47 -25.96 66.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.76 -29.26 69.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -17.11 58.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.08 152.53 22.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.23 -15.2 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.781 ' HB3' HD13 ' A' ' 26' ' ' ILE . 7.1 mttt -82.24 7.26 14.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HB2' HD13 ' A' ' 59' ' ' LEU . 17.8 t -99.3 143.59 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -149.61 -36.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.799 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -133.34 84.44 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.3 p90 -65.98 158.15 28.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.785 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 87.9 m -158.62 98.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.27 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -97.33 149.12 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.693 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -115.5 36.77 3.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t 64.67 -3.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.613 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -147.6 -12.26 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.589 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -158.96 119.13 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -86.17 151.57 23.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.7 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -150.87 111.63 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.74 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -97.79 131.76 44.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.646 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 15.1 m-85 -118.76 123.82 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.84 88.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.262 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -161.0 164.7 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -78.03 124.25 27.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -136.62 -34.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . -162.72 -5.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.8 OUTLIER -66.87 135.07 53.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 67' ' ' ARG . 4.0 mtt180 -151.8 162.45 26.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.44 -176.31 2.18 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.267 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -167.09 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.82 -165.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 m -104.54 -76.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 53.26 31.42 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.025 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 65.41 34.45 89.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.655 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.74 -172.17 2.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.9 p -169.99 144.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.79 135.08 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.13 171.66 24.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.589 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.33 -15.2 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.704 0.288 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp 56.37 45.22 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -113.14 -80.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 38.5 m 55.67 87.73 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.2 tp -62.76 140.27 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.03 -27.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.55 153.03 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.25 -7.76 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.781 0.324 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 57.72 -168.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.2 mttt -85.37 -167.23 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.89 69.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.1 -162.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.03 -32.11 0.97 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -95.01 178.09 5.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -68.97 164.78 21.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 m -90.96 165.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -99.95 123.1 43.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 1.18 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.09 121.33 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -136.92 158.63 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -123.89 172.41 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -161.5 141.63 10.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.33 60.06 6.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -81.86 6.83 64.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 17' ' ' GLY . 1.0 OUTLIER 52.14 -177.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 111.684 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' HG23 ' A' ' 18' ' ' VAL . 28.0 t -61.49 133.67 55.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.685 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.604 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -101.99 157.9 16.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.118 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -164.49 170.79 15.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.15 -41.15 3.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.64 178.08 32.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -108.5 88.66 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 110.966 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -62.49 120.74 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 46' ' ' LYS . 2.2 pp -65.05 -20.31 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.179 0.514 . . . . 0.0 110.316 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 27.6 t -168.71 158.85 9.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.053 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.91 143.51 14.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 110.33 10.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.197 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 12.0 mttt -60.29 95.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -126.7 138.75 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.31 -11.2 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -136.43 139.02 42.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.793 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.744 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.21 -31.01 68.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -41.71 60.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.668 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -67.74 -36.58 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.524 179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 20.3 t -71.27 -21.89 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.265 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -73.18 -48.46 35.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.524 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.76 -37.04 81.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.517 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -65.5 -54.08 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.313 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -59.33 -29.6 67.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -2.73 58.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.6 t70 -103.11 152.0 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.77 -38.12 9.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 26' ' ' ILE . 31.1 mttt -80.98 7.16 11.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -87.32 131.13 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -51.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -120.49 86.76 2.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.703 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 22.0 p90 -71.49 167.67 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG21 ' HB2' ' A' ' 20' ' ' PHE . 46.6 m -159.48 96.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.036 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.824 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -87.51 161.39 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -133.97 -159.82 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -56.32 -18.97 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.65 37.83 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.55 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 9.3 tttt -165.17 121.2 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.4 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.824 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -101.83 150.16 23.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.32 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -144.92 122.35 11.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.724 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.703 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -97.69 135.75 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.82 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 19.8 m-85 -125.17 121.55 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.13 -31.94 73.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -157.87 157.92 34.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.817 ' HA ' HD21 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -81.04 130.51 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.76 -45.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -165.36 11.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.167 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.817 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -68.68 91.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -100.65 163.67 17.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.29 -178.85 1.96 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.692 2.261 . . . . 0.0 112.282 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -162.8 -39.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.13 148.88 4.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -108.27 27.12 9.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.66 87.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.57 32.32 82.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.445 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.34 161.91 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 111.091 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 p -169.01 140.22 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.9 p -123.7 -176.63 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.96 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.32 125.91 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -118.59 162.22 18.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -6.94 59.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.15 125.89 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 33.07 4.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -65.36 -29.53 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 tp -66.63 112.06 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.57 136.4 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -85.53 150.76 24.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.91 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -63.57 149.42 46.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.7 mttt 57.02 -166.4 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.11 -35.24 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.65 -80.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.09 -32.4 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.82 -91.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.54 -165.29 0.14 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.892 0.377 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.8 89.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.98 115.28 29.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -122.27 -34.55 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.54 177.81 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.47 122.77 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -104.8 -179.05 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.62 153.62 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 56.38 -164.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.95 29.69 0.2 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -132.95 145.61 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.871 0.367 . . . . 0.0 111.062 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 p -69.69 174.41 5.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.662 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.75 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -127.01 152.96 46.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.939 0.4 . . . . 0.0 111.285 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -157.07 170.86 21.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.91 -38.09 2.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.51 176.13 24.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.41 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 85.18 2.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -61.5 113.05 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.776 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -68.48 -8.04 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.587 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -174.54 140.55 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.624 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.45 142.2 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -121.26 99.59 6.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.29 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -57.4 90.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -141.11 151.91 44.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -94.76 -1.19 53.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.98 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.77 134.64 41.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.778 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.756 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -58.24 -32.88 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -42.01 61.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.43 -39.04 91.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 48.6 t -69.2 -23.34 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.423 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.86 -46.65 57.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.636 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.65 -36.62 73.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.68 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.08 -57.9 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.473 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.772 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.13 -27.18 66.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -34.83 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.555 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -7.56 54.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.22 166.75 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.79 16.59 8.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -135.7 9.77 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.9 t -95.03 98.89 11.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.271 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' ALA . 37.8 mtt-85 -89.25 -27.22 20.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.214 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.616 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 78.0 m-85 -140.63 170.12 16.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.358 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.601 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 1.8 p90 -144.84 153.6 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.75 HG21 ' HB2' ' A' ' 20' ' ' PHE . 48.3 m -153.47 103.02 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.195 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -90.9 164.3 14.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -134.33 -160.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -29.89 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.044 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -170.24 35.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.545 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.85 125.73 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.392 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -99.16 154.13 18.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -151.85 114.92 4.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -95.48 144.44 25.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.508 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 27.7 m-85 -131.02 129.2 41.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.172 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.52 -78.3 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.12 105.41 1.73 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.86 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.29 -31.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.68 16.37 5.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.358 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.37 14.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 144.76 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -147.03 160.9 38.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.55 175.93 6.45 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.553 2.169 . . . . 0.0 112.273 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 t -161.05 -36.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.65 174.17 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.62 73.87 1.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -115.83 68.3 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.03 23.69 73.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -94.34 141.24 28.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.63 162.77 36.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.84 164.42 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -159.81 178.11 36.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.566 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.616 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 46.2 m-80 -138.27 -171.2 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.338 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -66.26 -44.09 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.6 ttm-85 -70.68 164.39 25.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 77.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -101.43 145.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.57 21.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -81.15 147.41 30.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -80.55 153.63 27.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.943 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -69.87 -179.23 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -58.88 127.81 34.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -31.97 70.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.44 145.41 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 -32.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.66 149.87 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -79.72 177.77 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -96.66 13.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.66 120.86 42.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.29 15.46 28.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 p -64.16 146.62 53.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.054 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -131.04 95.84 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.03 163.15 15.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.774 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 1.3 mm100 -148.84 143.14 26.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.66 -168.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.66 51.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.422 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG23 ' C ' ' A' ' 70' ' ' LYS . 7.1 p -171.46 148.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.751 0.31 . . . . 0.0 111.039 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.487 ' H ' ' HB2' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -68.74 -164.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.721 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -140.35 159.31 42.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t -156.26 174.21 15.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.54 -43.58 3.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.42 -179.24 30.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.395 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.0 91.34 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 116.08 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.06 -10.31 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.8 t -173.45 142.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.756 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.76 142.01 51.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.21 98.41 6.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.311 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.77 87.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.444 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.0 157.66 44.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.423 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.95 -8.42 30.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.769 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 26.7 p -133.05 138.11 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.789 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.557 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -58.9 -34.06 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -40.58 54.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.99 84.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.71 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 42.2 t -68.39 -25.86 65.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.437 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 34' ' ' SER . 78.4 mt-30 -70.64 -48.83 52.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.701 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -68.01 -34.5 76.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -64.99 -58.84 5.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.502 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.682 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -60.19 -26.45 66.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HG3' HG21 ' A' ' 82' ' ' ILE . 1.5 mm-40 -65.65 -29.75 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -81.93 -11.36 58.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.9 160.77 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.0 14.88 14.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.9 7.86 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' HD13 ' A' ' 59' ' ' LEU . 10.2 t -96.47 147.26 24.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.55 -40.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -132.2 87.88 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.795 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.768 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -69.79 164.49 23.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 70.7 m -157.03 98.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -89.03 157.67 18.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.77 -160.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -27.51 32.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.154 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.52 39.13 0.16 Allowed Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.627 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.07 123.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.835 0.35 . . . . 0.0 110.973 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.736 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -97.02 153.12 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.772 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.3 m -151.5 115.29 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.768 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -93.26 149.3 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.429 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.538 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 42.5 m-85 -136.3 121.64 19.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.34 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.09 145.19 30.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -71.99 106.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.64 -80.63 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.24 20.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -62.88 104.9 0.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 67' ' ' ARG . 26.4 mtp-105 -105.79 162.17 20.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.53 168.54 22.26 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -169.89 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.301 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.599 ' C ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.38 -157.92 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.273 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.456 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 0.7 OUTLIER -129.79 -155.89 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -62.77 -16.84 59.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.061 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.41 -14.0 63.72 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' ALA . . . -114.42 139.52 49.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.741 0.305 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.87 138.17 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.476 ' HB3' HG23 ' A' ' 51' ' ' THR . 86.5 p -120.5 -174.71 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.774 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -162.06 173.0 38.33 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -153.47 166.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 55.04 43.36 29.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 59.06 -92.78 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 55.42 88.38 0.04 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.418 HG21 ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -111.38 -178.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 108.98 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 56.84 85.11 0.08 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -66.96 120.65 13.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.863 0.363 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -62.88 166.21 5.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 58.01 -168.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -107.89 -80.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.12 -166.14 1.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.76 -45.77 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 54.85 82.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.003 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.37 159.41 17.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 m -147.65 131.33 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -66.29 114.24 5.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.66 6.22 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.67 153.05 44.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 60.5 m -134.75 3.91 3.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -146.19 167.33 23.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.49 97.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.577 ' HB3' HG13 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -112.35 40.52 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.87 -86.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.308 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -138.44 176.4 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -59.8 170.49 1.13 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.571 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -120.94 136.25 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.952 0.406 . . . . 0.0 111.376 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.44 HG23 ' OG1' ' A' ' 69' ' ' THR . 41.3 p -140.44 -176.97 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.091 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.42 -35.18 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.421 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.65 176.0 40.96 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -110.74 94.81 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 123.97 18.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.704 HD11 HD12 ' A' ' 59' ' ' LEU . 2.2 pp -65.38 -23.55 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.597 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 30.9 t -167.41 142.86 4.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.72 141.53 51.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.569 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -119.24 99.89 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -59.11 90.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.78 146.11 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.288 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 55' ' ' GLY . . . -89.18 -0.17 57.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.793 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.59 132.75 28.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.725 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -55.7 -31.06 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.059 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -46.52 62.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.64 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.628 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 17.9 t -75.55 -24.28 56.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.2 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 34' ' ' SER . 76.0 mt-30 -73.04 -47.26 46.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.613 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.96 -34.59 73.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.87 -57.44 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.436 179.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.584 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.82 -26.83 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.014 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -28.39 68.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.783 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.96 1.96 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.49 119.81 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.02 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -86.47 8.25 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' HB2' HD13 ' A' ' 59' ' ' LEU . 7.7 t -104.87 135.55 46.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.983 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -135.9 -53.33 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -117.78 82.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.646 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 4.1 p90 -67.85 156.26 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.731 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.555 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 36.2 m -156.28 101.32 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.063 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.771 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -92.71 159.06 15.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.736 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.08 -160.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -20.73 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 32' ' ' ALA . . . -178.25 36.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.531 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -159.57 117.25 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -93.14 152.18 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.593 179.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.8 m -150.28 112.48 4.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.28 132.46 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.457 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 36.3 m-85 -118.17 119.37 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.354 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -69.7 -69.63 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.226 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -126.0 -31.89 2.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER 51.68 -159.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.234 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.97 -35.34 2.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.207 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.73 -37.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.304 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' CG ' ' A' ' 63' ' ' ASP . 6.3 mt 58.31 94.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -102.3 157.31 33.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.36 -172.69 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.707 2.272 . . . . 0.0 112.25 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.862 HG22 ' HG3' ' A' ' 70' ' ' LYS . 23.5 m -137.63 -99.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.862 ' HG3' HG22 ' A' ' 69' ' ' THR . 0.0 OUTLIER -176.62 -24.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.727 0.299 . . . . 0.0 111.072 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -49.77 98.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.393 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.19 82.89 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.801 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 161.93 -15.03 0.14 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 52' ' ' LEU . . . -59.8 157.54 12.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 111.28 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 16' ' ' ASN . 2.5 t -132.58 108.23 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.975 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER -111.77 176.01 5.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.031 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -165.33 107.41 0.29 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -113.14 125.62 54.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.7 mttt 55.95 86.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -69.19 169.84 11.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.5 m -107.83 64.46 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.44 105.2 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.56 120.35 37.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.12 163.75 32.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 56.46 32.99 21.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.914 . . . . 0.0 110.902 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.771 0.32 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 55.04 -164.94 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmpp? 58.06 -91.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.15 -170.79 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.77 -78.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -82.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -108.84 165.39 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.89 -174.35 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -86.39 168.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 162.08 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.82 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.07 99.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.346 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.7 t -86.86 22.37 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.584 ' HD2' ' HG3' ' A' ' 15' ' ' GLN . 57.1 t80 -131.34 -84.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.584 ' HG3' ' HD2' ' A' ' 14' ' ' TYR . 38.6 mt-30 -65.68 -36.16 82.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.97 -89.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.75 -6.24 4.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 71' ' ' SER . 2.4 t -122.9 148.5 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 111.071 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 1.2 p -68.36 -169.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.771 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.8 OUTLIER -136.31 147.57 47.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 0.0 111.305 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.7 p -148.0 174.8 11.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.109 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.99 -32.11 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.726 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.65 159.48 33.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.62 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 92.75 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.76 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 118.3 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.714 HD11 HD12 ' A' ' 59' ' ' LEU . 2.0 pp -59.44 -23.73 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.518 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.566 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.7 t -166.92 150.99 6.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.612 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.72 140.02 40.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.729 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.45 98.88 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -58.27 90.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.552 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.05 157.27 45.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.313 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.64 -2.2 51.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.729 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -144.76 142.12 29.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' HD22 ' A' ' 52' ' ' LEU . 10.4 t -62.22 -30.65 71.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.61 -37.6 28.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.068 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.08 -32.73 61.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.28 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 43.5 t -73.72 -20.53 60.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.227 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -77.58 -50.98 11.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.85 -30.33 70.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.595 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -70.77 -55.89 7.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.537 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -62.54 -26.48 68.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.79 -25.46 65.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.773 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.02 12.01 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -121.26 148.06 44.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 14.14 29.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 2.0 mtpt -122.8 8.61 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HB2' HD13 ' A' ' 59' ' ' LEU . 15.0 t -96.98 147.53 23.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.46 ' HB2' ' HA ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -151.24 -47.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.547 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 18.9 m-85 -127.38 87.69 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.795 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 16.8 p90 -70.0 164.88 23.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 52.9 m -161.14 98.83 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -101.77 141.5 34.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 55' ' ' GLY . . . -109.99 37.33 2.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.168 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.9 t 64.49 -2.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.552 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -141.35 -17.32 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.718 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -159.59 118.68 2.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.46 152.98 22.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.7 m -151.3 114.75 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -95.87 132.57 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.786 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 26.3 m-85 -121.02 120.54 35.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.012 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -70.3 -84.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.7 -172.0 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -63.0 148.59 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' ' 66' ' ' LEU . . . -151.36 17.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 55.9 31.88 18.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -60.9 162.94 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -159.08 149.67 15.8 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 61.2 Cg_endo -73.52 165.8 31.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.425 2.083 . . . . 0.0 112.287 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.584 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -148.73 -73.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.235 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' H ' HG23 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.61 134.96 55.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.903 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.486 ' HA ' ' HA ' ' A' ' 18' ' ' VAL . 15.4 m -76.74 -79.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t70 52.33 39.04 26.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.0 31.65 47.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.647 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.48 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 p -170.0 144.54 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.99 -179.81 5.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.11 121.93 1.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.547 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 14.2 m120 -118.79 -19.04 8.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 mttm 56.3 26.53 10.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.68 -156.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.9 m 57.27 72.6 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.7 tp -102.07 145.72 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.044 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' N ' HG13 ' A' ' 82' ' ' ILE . 4.0 mp -85.54 116.56 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.41 -39.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.87 16.02 27.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.896 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.801 0.334 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -98.94 -176.62 3.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 -62.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -78.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.75 -174.55 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.06 -75.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.84 126.88 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -91.75 169.16 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.0 m -94.33 162.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.7 141.57 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -146.36 22.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -15.41 62.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 t -93.86 97.02 10.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -145.28 -171.86 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -157.18 160.89 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.19 -160.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 18' ' ' VAL . . . -166.93 -5.67 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 70' ' ' LYS . 1.8 m -132.16 163.42 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 71' ' ' SER . 0.1 OUTLIER -63.96 162.26 14.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.425 179.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -109.81 146.4 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 111.466 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 p -146.3 160.46 41.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.46 -12.05 41.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.643 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -88.98 161.76 30.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.515 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -91.39 72.7 6.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.29 129.95 37.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.734 HD11 HD12 ' A' ' 59' ' ' LEU . 1.3 pp -80.04 -21.59 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.69 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.7 t -174.4 151.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.827 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.18 140.27 34.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.394 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -128.5 111.62 13.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.823 0.344 . . . . 0.0 111.442 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 1.5 ttpt -64.74 85.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.79 147.16 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.2 3.72 37.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.02 133.29 14.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.838 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.795 ' HA ' HD13 ' A' ' 52' ' ' LEU . 5.9 t -59.51 -30.89 68.9 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.09 -37.79 55.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.963 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.1 -27.47 59.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.195 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' O ' HD23 ' A' ' 40' ' ' LEU . 9.7 t -75.6 -26.76 58.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.534 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -77.5 -40.97 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.405 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.06 -35.69 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -75.36 -38.6 59.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.465 179.669 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -29.56 68.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.576 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -64.6 -34.43 78.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -16.18 61.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -105.07 124.11 48.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.943 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.63 15.84 3.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' CB ' HD13 ' A' ' 26' ' ' ILE . 4.2 mmtm -114.72 9.23 16.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 1.5 t -111.01 128.99 56.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -131.01 -38.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.648 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -129.15 87.0 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.747 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.4 p90 -67.21 167.73 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.691 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 33.8 m -157.87 89.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.828 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.5 OUTLIER -89.71 156.62 18.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.59 -160.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -54.72 -22.0 12.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 30' ' ' LYS . . . -175.98 32.21 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.572 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 17.4 tttt -154.91 116.12 4.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.812 0.339 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -90.5 152.85 20.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -146.96 103.97 3.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.747 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.07 129.06 38.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.417 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.691 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 53.5 m-85 -116.43 140.02 49.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 26' ' ' ILE . . . -79.24 -84.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.98 170.25 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.15 106.85 14.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.1 -77.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.11 28.68 0.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.643 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -72.27 108.73 5.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -110.36 164.62 14.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.799 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.61 175.5 4.3 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.151 . . . . 0.0 112.156 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.9 t -158.36 10.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' H ' HG21 ' A' ' 18' ' ' VAL . 2.0 mttp 64.77 121.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.518 ' HB2' ' H ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -128.34 -164.1 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.19 -30.12 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.16 30.17 0.17 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -71.62 145.73 48.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.092 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.46 129.62 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -179.82 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.14 -168.69 30.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.15 169.86 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.02 23.33 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.96 32.0 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 33.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.417 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.06 8.09 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -69.06 160.96 30.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -130.58 -174.99 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.9 8.99 30.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.953 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.801 0.334 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -102.68 -170.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -113.43 -80.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -174.02 2.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.811 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.72 -32.3 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.32 -65.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.08 -167.01 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -95.58 157.89 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.3 156.79 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.049 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -143.78 129.23 19.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mp -105.91 -44.03 4.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -89.61 169.16 11.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.049 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 93.8 m -95.93 97.13 9.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -113.06 141.68 46.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 122.51 18.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HA ' HG13 ' A' ' 75' ' ' VAL . 7.4 p-10 -118.42 37.37 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.02 28.35 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 109.33 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.14 177.56 7.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.687 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -136.45 148.64 47.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.183 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -164.07 175.49 10.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.89 -40.95 2.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.434 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 -176.1 11.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -117.45 88.38 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 111.083 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -63.03 126.34 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.709 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.585 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -72.37 -10.68 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.067 0.46 . . . . 0.0 110.547 179.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -175.96 139.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.327 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.96 136.83 44.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.702 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -104.92 173.34 6.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.142 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.02 33.26 5.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.626 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.602 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -78.15 162.68 26.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.296 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.32 -20.44 17.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.29 141.14 52.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.749 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.634 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -57.95 -30.17 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 -179.752 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.99 -44.37 60.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.43 -31.48 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.529 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HD13 ' A' ' 52' ' ' LEU . 4.1 m -71.9 -23.8 61.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.706 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -78.31 -44.16 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.59 -29.56 66.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.09 -47.09 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.679 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.32 -27.76 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.811 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.56 -30.56 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -74.02 -15.31 61.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.628 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -103.58 141.84 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.817 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.63 17.73 12.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 mtpp -118.79 6.93 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' HB2' HD13 ' A' ' 59' ' ' LEU . 5.4 t -95.08 147.18 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.064 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.42 -41.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -136.95 87.44 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.584 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.833 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.9 p90 -68.63 162.26 26.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.807 HG23 ' HB3' ' A' ' 76' ' ' SER . 77.1 m -157.82 102.98 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.716 ' HG ' ' H ' ' A' ' 54' ' ' SER . 7.2 tp -92.97 152.95 19.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -118.87 38.46 3.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.716 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.0 -3.15 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.544 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -159.06 0.66 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.723 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 52' ' ' LEU . 7.8 ttmt -162.11 117.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 2.6 m -84.06 156.45 22.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.54 106.26 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.701 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.833 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -88.89 147.13 24.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 25' ' ' ALA . 58.9 m-85 -134.16 122.66 23.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.246 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -71.8 -159.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 90.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -153.65 -167.45 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.49 11.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.09 -7.77 55.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 135.44 34.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.68 162.07 56.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.29 -178.5 2.19 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.6 2.2 . . . . 0.0 112.327 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 t -162.72 -46.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.86 -161.46 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.84 -80.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.3 t70 56.48 27.75 12.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 54' ' ' SER . . . 63.67 27.3 70.81 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.633 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -71.08 132.08 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.747 0.308 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.563 HG23 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -115.39 105.92 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.807 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -104.73 170.09 8.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.44 177.27 26.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.579 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -141.66 -178.52 5.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 -49.42 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -56.98 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 3.5 t 55.95 85.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -113.31 125.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.096 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 113.22 6.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 -66.57 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -97.54 7.23 46.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.833 0.349 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -90.58 -163.23 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -58.21 151.83 18.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.044 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.81 -30.46 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.02 -79.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.7 -25.9 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -116.78 157.93 24.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 172.9 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 m -133.72 177.7 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -117.72 154.41 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mp -116.19 15.67 15.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 13' ' ' CYS . 0.3 OUTLIER 57.35 -170.27 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.274 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' H ' HG22 ' A' ' 12' ' ' THR . 39.3 t -118.88 136.06 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -146.81 165.57 29.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.95 94.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 75' ' ' VAL . 1.1 p30 -69.68 83.81 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.833 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -107.38 9.03 38.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 71' ' ' SER . 14.9 t 63.92 158.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.873 0.368 . . . . 0.0 111.278 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' HG12 ' A' ' 18' ' ' VAL . 6.6 t -54.92 153.95 5.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.673 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -110.37 155.05 22.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 p -148.65 162.73 39.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.35 -31.14 2.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.545 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.92 158.55 51.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.411 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -90.78 75.7 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 109.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.514 HD11 HD12 ' A' ' 59' ' ' LEU . 1.5 pp -62.32 -19.81 23.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 3.2 t -171.73 149.94 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.406 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.59 138.74 36.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.5 172.86 6.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.058 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.22 73.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.456 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.12 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.454 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.75 -15.74 20.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.611 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -131.13 138.03 49.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.744 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.65 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -54.12 -26.33 26.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 4.4 tp60 -50.69 -51.16 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.532 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.32 75.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.344 179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' HD13 ' A' ' 52' ' ' LEU . 2.9 m -73.21 -20.19 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.32 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLN . 2.5 mm-40 -75.68 -46.64 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.293 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.12 -36.41 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.19 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -67.19 -52.03 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.057 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -57.65 -29.26 64.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -35.07 78.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -10.18 59.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.998 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.631 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 3.4 t70 -97.74 146.5 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.97 -34.57 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 21.7 mtmt -82.72 7.68 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -90.26 146.37 24.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.23 -58.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -116.5 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.75 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 24.4 p90 -71.63 167.53 19.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' HE2' ' A' ' 60' ' ' PHE . 54.2 m -158.04 103.79 1.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.064 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' H ' ' A' ' 54' ' ' SER . 1.8 tp -91.13 155.86 18.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.614 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -127.12 38.99 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 111.037 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.656 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 29.6 t 66.42 -3.15 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.456 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.46 7.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.959 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.39 121.91 1.02 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.772 0.32 . . . . 0.0 111.316 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 1.9 m -90.6 155.75 18.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.638 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.1 110.46 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.986 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.75 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -92.19 135.15 34.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.742 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 55.7 m-85 -123.74 128.97 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -81.16 -153.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 91.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.06 178.42 9.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.55 10.59 0.24 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -14.64 61.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 156.41 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 150.07 18.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.62 165.84 31.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 112.281 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.2 t -139.25 11.18 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.341 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.91 121.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.2 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HG13 ' A' ' 18' ' ' VAL . 46.3 t -165.17 141.69 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.98 76.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.4 -28.94 0.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.399 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.43 163.7 24.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' A' ' 16' ' ' ASN . 8.9 p -168.28 136.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 51' ' ' THR . 1.2 p -108.03 179.88 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 166.7 33.12 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.79 171.42 8.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -69.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -107.76 133.3 52.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 4.5 p -154.59 89.61 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -163.09 144.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.488 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.9 OUTLIER -128.63 157.69 40.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.5 mp -119.14 139.74 51.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 85' ' ' GLU . 5.5 pt-20 -73.14 144.59 46.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.916 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.568 0.223 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.8 p90 40.52 -160.48 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.921 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 -83.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.982 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -152.11 -79.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 -171.03 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -140.15 -79.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.8 171.99 9.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.43 -46.47 5.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.76 143.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -123.35 138.63 54.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.15 -72.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -107.95 154.45 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.5 m -69.01 162.3 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -113.23 168.76 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.758 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 12.8 mm-40 -153.76 133.27 12.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.49 -166.8 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.9 24.89 0.15 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.415 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.734 HG22 ' HB3' ' A' ' 71' ' ' SER . 5.9 t -126.24 138.78 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 111.095 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.1 t -60.43 148.75 36.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.689 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.765 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -108.13 146.95 31.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.3 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 p -150.02 161.3 42.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.21 -18.86 7.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.616 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -67.18 165.68 42.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.414 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -87.45 61.57 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -59.12 106.56 0.44 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -72.3 -8.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.746 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.759 ' HB3' HD11 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -177.06 140.33 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.405 179.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -138.25 140.74 39.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.711 -179.428 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB2' HD13 ' A' ' 40' ' ' LEU . . . -132.27 107.8 8.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.344 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 53.0 mttt -59.1 93.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -126.99 145.84 50.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.207 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.01 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.923 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.11 132.78 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.764 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB3' ' HE2' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -59.17 -34.89 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.029 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -39.65 63.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.675 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.711 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.1 t -67.39 -27.74 67.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.591 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -68.75 -46.03 69.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.774 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.98 -41.12 99.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -67.34 -42.0 84.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.598 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.706 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -63.05 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.813 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -31.96 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -69.05 -23.95 64.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -174.03 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.61 14.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 8.99 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.847 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.9 t -91.87 108.05 19.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 -30.21 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.36 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -133.75 -178.55 5.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.734 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 3.1 p90 -157.15 155.78 31.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.02 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 20' ' ' PHE . 18.7 m -153.0 101.74 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.719 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 1.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.539 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.89 38.02 3.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.358 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' H ' HD23 ' A' ' 52' ' ' LEU . 29.1 t 64.24 -2.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.539 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' ALA . . . -163.66 -5.73 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.467 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.879 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 31.0 tttp -152.48 115.42 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.95 156.76 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.907 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.9 m -156.93 112.65 2.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.543 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.847 HD13 ' HB2' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -91.39 145.93 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.364 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.541 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 49.2 m-85 -130.64 128.0 40.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.247 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.83 -87.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.204 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -151.29 80.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.49 152.02 41.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -115.25 94.38 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.11 2.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -91.3 116.1 28.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.052 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.84 163.09 31.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 19' ' ' SER . 49.6 Cg_endo -68.43 173.25 10.0 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.563 2.176 . . . . 0.0 112.206 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.03 -44.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.273 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.88 134.24 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -104.7 73.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.996 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.82 10.17 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.793 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.46 20.02 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 155.26 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.188 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 t -139.53 116.16 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.77 175.42 5.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.853 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.758 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -169.19 169.91 42.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.584 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.493 HD21 ' HG3' ' A' ' 15' ' ' GLN . 0.9 OUTLIER -140.04 -10.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.4 mttt 56.15 83.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.29 19.64 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 7.7 p -115.96 54.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 pt -75.7 -27.67 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.44 -83.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.95 -3.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -109.23 149.02 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.889 0.376 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -157.31 -179.67 8.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.85 -169.01 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.31 -36.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.3 -164.21 1.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -91.28 -79.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.49 127.91 54.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 56.84 -165.5 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 m -111.05 27.49 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.84 156.41 23.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.92 -31.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.94 142.37 54.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 p -99.62 -1.08 38.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.487 ' HD1' ' HG3' ' A' ' 15' ' ' GLN . 1.0 OUTLIER -100.65 131.11 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.487 ' HG3' ' HD1' ' A' ' 14' ' ' TYR . 52.0 mt-30 72.9 -26.1 0.19 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.575 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' TYR . 12.0 t-20 56.59 -92.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.053 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.01 -18.53 2.93 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.799 ' HA ' ' HB3' ' A' ' 71' ' ' SER . 3.0 t -126.22 147.42 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 p -68.44 -179.37 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.667 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.574 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -124.58 145.31 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.148 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.1 p -144.44 172.62 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.083 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.39 -33.47 2.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.78 -177.94 29.23 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.421 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -117.0 85.93 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 111.01 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.29 105.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.849 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -68.2 -10.38 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.569 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.5 t -170.99 141.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.605 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.63 141.18 50.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -120.39 96.71 5.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.324 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 90.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.89 154.73 50.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.313 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.75 -0.21 54.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.81 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.0 134.58 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.63 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.11 -32.02 65.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -43.82 66.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.37 -31.17 72.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.515 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 34.6 t -75.17 -23.85 57.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.191 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.02 -46.09 58.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.377 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -68.51 -36.51 78.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.35 -56.76 10.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.638 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -59.89 -24.98 64.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.22 77.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.545 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -12.78 60.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.67 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 163.74 12.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.04 -4.66 10.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.428 ' HB3' HG13 ' A' ' 26' ' ' ILE . 9.6 mttp -103.79 8.07 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HB2' HD13 ' A' ' 59' ' ' LEU . 14.9 t -94.85 131.31 40.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -133.35 -41.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -132.23 91.27 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 9.8 p90 -73.73 162.2 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 76' ' ' SER . 25.0 m -157.48 100.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB2' ' A' ' 57' ' ' CYS . 0.7 OUTLIER -87.24 159.28 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.878 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -126.33 -161.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -20.14 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.27 35.23 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.625 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -162.4 120.72 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.773 0.321 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.783 ' HB2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.34 152.68 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.641 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -151.04 116.56 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.994 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.7 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.76 148.93 22.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.424 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.578 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 34.2 m-85 -135.1 125.16 25.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.167 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.65 -161.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.65 95.07 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.47 -170.62 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -166.7 15.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.74 12.69 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.37 139.2 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 67' ' ' ARG . 1.1 mtm180 -142.85 163.84 35.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.28 167.07 23.16 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.526 2.151 . . . . 0.0 112.273 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -142.1 -78.76 0.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' H ' HG23 ' A' ' 69' ' ' THR . 7.2 mttt -170.45 122.42 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.799 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . 8.9 t -165.86 169.44 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -146.27 14.13 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.83 0.5 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -69.63 147.63 50.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.44 103.23 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -105.78 164.7 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.44 146.88 16.4 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.11 15.23 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.687 0.279 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.79 96.16 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.074 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.79 91.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 49.7 t -111.38 68.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.1 tp -90.37 -27.3 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.087 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 96.69 10.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.07 -56.63 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.58 -175.45 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.916 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.498 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 49.9 m-85 -131.84 121.19 23.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER 43.78 -160.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.686 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.47 -19.64 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -28.96 70.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.79 -33.47 19.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.85 77.13 0.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -97.62 164.74 12.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 m -133.35 153.2 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -140.14 4.11 2.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.23 20.18 19.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -66.16 147.39 53.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.189 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 p -142.42 148.69 38.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' HB2' HG11 ' A' ' 75' ' ' VAL . 42.0 p90 -147.17 147.07 30.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.56 122.42 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -64.62 119.39 10.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.33 13.55 3.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.528 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 t 64.93 150.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.903 0.382 . . . . 0.0 111.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 8.5 t -58.9 141.26 54.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.733 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.7 149.71 21.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -156.48 171.48 20.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.24 -44.55 3.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.392 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.68 -177.95 49.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.433 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.98 99.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.97 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -63.96 130.44 44.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.031 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 59' ' ' LEU . 1.9 pp -69.0 -20.73 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.038 0.446 . . . . 0.0 110.427 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.3 t -168.89 137.62 2.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.49 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.32 138.03 41.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.588 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -137.14 110.36 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.5 94.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' HD11 ' A' ' 52' ' ' LEU . . . -114.88 143.36 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.231 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.77 -8.18 55.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -147.97 134.23 19.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.639 ' HA ' HD13 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -55.19 -30.27 59.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -47.53 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.36 -35.4 75.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 45.1 t -73.05 -27.49 61.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.641 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.13 -40.41 68.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.85 -44.14 86.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 59' ' ' LEU . 2.3 pp -70.69 -32.18 69.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -58.92 -38.29 78.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.818 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.8 -39.51 94.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.181 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.73 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.402 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.28 118.39 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.48 17.16 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.446 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' CB ' HD13 ' A' ' 26' ' ' ILE . 3.4 mtpp -137.1 8.75 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 152.91 19.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.978 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 0.2 OUTLIER -160.29 -38.98 0.05 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HD1' ' HA ' ' A' ' 78' ' ' ASN . 23.1 m-85 -132.22 87.09 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.715 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 5.0 p90 -68.53 161.87 26.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.06 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 97.4 m -157.41 92.9 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.88 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.64 159.2 19.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -130.85 -160.41 1.04 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.9 t -55.64 -21.55 18.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.01 35.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.589 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.887 ' HA ' ' HA ' ' A' ' 30' ' ' LYS . 5.3 tttp -163.23 118.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.88 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -96.96 157.06 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.677 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -152.55 114.69 4.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.715 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.07 126.86 41.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.454 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 23.8 m-85 -115.06 129.03 56.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.122 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -65.93 -37.24 85.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.096 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.36 168.2 26.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.495 ' HA ' HD21 ' A' ' 66' ' ' LEU . 16.9 t70 -95.4 114.41 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.76 -46.98 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -164.24 7.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD21 ' HA ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -65.48 100.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.2 mtm-85 -110.1 162.45 20.39 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' SER . 55.2 Cg_endo -69.26 -174.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.704 2.269 . . . . 0.0 112.259 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.6 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -134.31 -75.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' H ' HG23 ' A' ' 69' ' ' THR . 1.9 pttp -170.89 -30.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 99.18 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -75.99 -8.78 57.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.23 -13.19 67.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -81.05 155.63 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.4 HG11 ' HB2' ' A' ' 14' ' ' TYR . 2.5 t -132.83 120.11 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.14 168.7 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.84 167.98 29.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' HA ' ' HD1' ' A' ' 49' ' ' PHE . 9.0 m120 -133.69 -174.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HE2' ' HG2' ' A' ' 48' ' ' ARG . 5.0 mttm -64.69 -52.47 57.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.3 mmt-85 -73.45 105.54 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.64 13.25 10.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 83' ' ' LEU . 3.0 tp -130.61 145.43 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' N ' HG13 ' A' ' 82' ' ' ILE . 3.1 tp -153.24 157.77 40.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tp -145.99 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.85 167.83 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.814 0.34 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -72.9 -179.4 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -132.03 -17.97 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 58.75 -90.05 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -111.65 -81.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.35 -80.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.18 -175.39 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -73.41 179.62 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 m -71.66 169.09 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -70.66 117.66 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.02 -12.79 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.78 -173.93 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.07 -76.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -149.28 136.93 20.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HA ' HG23 ' A' ' 75' ' ' VAL . 3.7 pt20 -172.63 -41.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.86 164.36 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.542 ' O ' HG22 ' A' ' 18' ' ' VAL . . . 120.09 -25.13 7.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.42 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' GLY . 1.9 m 47.77 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.756 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.478 ' N ' HG23 ' A' ' 18' ' ' VAL . 33.2 t -60.84 168.08 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' HD1' ' O ' ' A' ' 67' ' ' ARG . 3.2 m-85 -133.4 145.24 50.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 69' ' ' THR . 1.7 t -143.26 170.97 14.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.152 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.48 -45.78 3.14 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.53 179.31 52.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.06 100.35 8.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.18 120.3 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 46' ' ' LYS . 1.9 pp -60.19 -23.76 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.716 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.568 ' HB2' HD12 ' A' ' 26' ' ' ILE . 1.5 t -167.55 157.47 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.743 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -141.69 138.89 32.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.576 -179.81 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' CYS . . . -118.61 100.53 7.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -59.4 89.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.535 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 36' ' ' ALA . . . -130.49 145.72 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.462 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.57 -5.9 59.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -143.13 142.62 31.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.73 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.738 ' HA ' HD13 ' A' ' 52' ' ' LEU . 9.4 t -62.0 -30.53 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -38.54 32.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -74.15 -32.38 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.134 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 29.6 t -74.12 -19.62 60.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.99 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -76.87 -51.81 10.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.405 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -64.85 -33.24 75.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.402 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -69.08 -54.26 15.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.146 179.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -58.27 -31.87 67.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.901 179.703 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HG2' ' HE2' ' A' ' 79' ' ' LYS . 15.4 mt-10 -66.97 -31.05 71.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -89.96 20.93 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.64 133.72 48.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.34 30.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 26' ' ' ILE . 1.6 mtpp -83.48 8.07 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -92.54 138.11 31.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -147.92 -59.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.818 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -118.03 86.76 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.731 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.767 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 20.2 p90 -69.99 166.92 18.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.591 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 73.3 m -160.01 94.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.6 OUTLIER -86.19 163.04 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.756 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' H ' ' HG ' ' A' ' 52' ' ' LEU . . . -135.27 -160.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.95 -21.92 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.35 39.49 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.586 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -164.23 119.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.794 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -95.92 150.66 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.496 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 m -148.23 117.11 6.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.767 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -96.45 137.8 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.744 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.591 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 30.3 m-85 -126.2 120.28 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -74.6 -89.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.341 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.72 177.07 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.974 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.85 100.33 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.87 21.27 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.05 30.54 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.102 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.63 129.37 39.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' O ' ' HD1' ' A' ' 20' ' ' PHE . 46.7 mtm180 -100.0 160.52 26.97 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.28 179.55 3.9 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.787 HG22 HG22 ' A' ' 21' ' ' THR . 12.0 p -130.02 -165.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.82 -4.1 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -61.95 156.13 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.005 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.03 -31.34 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.767 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.38 -15.59 81.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.16 170.93 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.834 0.349 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 15' ' ' GLN . 6.4 p -154.18 134.36 4.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.791 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -132.59 166.76 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.071 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.03 -165.61 36.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -119.09 -78.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' HE2' ' HG2' ' A' ' 42' ' ' GLU . 13.8 tptp -165.97 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -93.22 -177.84 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 1.6 p -156.37 90.8 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 ' H ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -86.03 52.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 tp -132.46 142.68 49.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.36 171.24 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -94.26 108.83 20.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.967 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.763 0.316 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -82.41 -173.4 4.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt 57.48 -166.91 0.14 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.061 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -177.42 4.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 22.6 t70 61.94 171.77 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -133.83 -38.58 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.952 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -159.01 167.26 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.61 -78.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 m -99.6 170.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -69.45 112.91 6.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.46 -18.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -137.71 166.93 22.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.9 m 56.54 -163.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' HD2' ' HB2' ' A' ' 15' ' ' GLN . 65.8 t80 -115.15 -83.42 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.411 ' HB2' ' HD2' ' A' ' 14' ' ' TYR . 1.7 mt-30 -112.53 99.67 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -92.95 93.72 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . 150.74 -54.06 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.554 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -88.08 149.74 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -168.02 1.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.691 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.697 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.7 OUTLIER -135.63 152.33 51.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.124 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -162.8 171.6 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -40.97 2.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.32 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.91 178.54 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.95 84.65 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.318 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -60.7 121.0 11.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.789 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.497 HD13 ' O ' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -67.79 -16.47 21.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 0.0 110.68 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.525 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -166.67 144.2 5.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.696 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.26 136.63 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.174 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.756 ' HB2' ' HG ' ' A' ' 40' ' ' LEU . . . -121.65 108.65 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.396 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HA ' ' HG3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -60.59 94.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.728 179.688 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.568 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -134.51 161.11 35.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.317 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.57 -13.56 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.49 144.84 49.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.614 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -60.38 -26.97 67.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -41.83 57.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.77 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.451 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' ' 34' ' ' SER . 1.8 m -68.9 -22.98 64.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.473 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -75.17 -51.34 13.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.564 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.26 -31.15 72.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.478 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.756 ' HG ' ' HB2' ' A' ' 29' ' ' ALA . 1.1 tm? -69.29 -55.99 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.381 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.548 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -61.72 -27.06 68.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.756 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -30.32 70.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -13.15 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.813 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.29 124.46 44.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.81 15.72 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.63 6.62 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 59' ' ' LEU . 1.6 t -98.88 133.68 42.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -38.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.67 88.03 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.744 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.2 p90 -69.42 162.6 27.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.78 HG23 ' HB3' ' A' ' 76' ' ' SER . 54.7 m -156.41 97.71 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.217 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.83 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 7.9 tp -84.39 156.9 21.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.52 -160.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -53.74 -27.24 27.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.215 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.62 41.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.777 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -172.27 122.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.132 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -91.53 155.59 18.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 m -151.35 116.21 5.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.776 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -94.21 149.18 21.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.878 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.559 ' HE2' ' HB ' ' A' ' 51' ' ' THR . 37.8 m-85 -136.22 121.49 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.32 -92.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.471 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -116.54 3.02 13.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.207 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.422 ' O ' HD21 ' A' ' 66' ' ' LEU . 8.1 t70 -58.65 145.22 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.76 7.5 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.9 11.09 14.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -91.79 105.05 17.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' HD3' ' HD2' ' A' ' 68' ' ' PRO . 6.3 mmt180 -102.41 162.76 19.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HD2' ' HD3' ' A' ' 67' ' ' ARG . 49.3 Cg_endo -68.24 177.64 4.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.26 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -149.03 -63.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 69' ' ' THR . 2.0 pttt -158.72 163.87 36.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.13 55.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.56 79.35 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.73 74.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 17' ' ' GLY . . . -96.62 168.65 10.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.9 p -170.01 141.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.78 ' HB3' HG23 ' A' ' 51' ' ' THR . 90.5 p -148.38 167.0 26.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.02 -165.26 37.58 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.612 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.46 HD22 ' H ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER -95.16 -178.39 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -78.11 -4.61 48.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' H ' HD22 ' A' ' 78' ' ' ASN . 3.9 mtt180 -92.14 32.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 84.2 m -105.14 18.13 22.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -111.64 13.93 8.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.05 131.18 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -16.61 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -95.5 26.23 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.969 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -90.1 -167.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 58.86 -170.6 0.12 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.95 -79.78 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.73 -32.27 0.49 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -161.94 -78.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.82 -65.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.14 -176.71 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.64 161.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -141.29 112.29 7.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.54 10.01 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -96.87 130.45 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.92 156.15 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -94.23 138.47 32.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -150.97 116.16 5.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -84.49 66.02 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -90.01 15.51 59.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 71' ' ' SER . 2.5 m 46.95 -168.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 111.832 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 18' ' ' VAL . 11.8 t -61.87 145.6 52.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.771 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.529 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.5 OUTLIER -112.26 139.93 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.261 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.5 p -146.04 169.44 18.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.0 -30.18 3.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.82 160.54 37.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.95 91.22 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.62 125.0 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -65.75 -19.51 25.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.078 0.466 . . . . 0.0 110.445 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' A' ' 59' ' ' LEU . 2.3 t -173.57 148.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.19 138.88 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -109.76 172.35 6.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.205 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 71.62 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -122.65 162.61 21.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.404 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.22 -18.82 18.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.748 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.81 140.71 52.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.671 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.572 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -57.67 -28.89 64.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.4 -45.2 45.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.4 82.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.332 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.2 m -67.06 -21.67 65.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.385 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.16 -50.86 14.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.542 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -64.69 -32.96 74.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.367 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -68.2 -56.27 9.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.301 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.68 -26.37 68.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.51 -30.44 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -79.71 -8.31 59.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.686 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -109.17 140.39 42.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.24 15.64 26.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 4.2 mtmt -118.01 8.9 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.78 138.06 42.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -140.74 -39.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.495 ' HB3' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m-85 -127.32 84.14 2.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 11.1 p90 -69.34 162.72 26.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.926 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.58 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 71.3 m -157.58 103.95 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.835 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD13 ' SG ' ' A' ' 37' ' ' CYS . 3.2 tp -95.25 153.51 17.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.736 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.76 -157.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.8 t -51.66 -23.65 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.13 44.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.669 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -163.19 118.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 3.1 m -84.14 155.93 22.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.657 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.01 106.68 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.714 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -94.2 133.46 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.58 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 43.8 m-85 -120.13 141.77 49.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -97.27 -35.89 10.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.61 178.07 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.31 123.94 26.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.56 -80.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.7 9.36 41.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.998 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 112.38 1.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 67' ' ' ARG . 2.5 mmt85 -141.49 161.79 50.57 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 67' ' ' ARG . 61.9 Cg_endo -72.59 -177.15 2.61 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.515 2.144 . . . . 0.0 112.136 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -161.7 -57.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.333 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.501 ' H ' HG23 ' A' ' 69' ' ' THR . 0.5 OUTLIER -147.73 143.1 27.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.961 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.601 ' HA ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -88.57 -86.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.4 t70 56.9 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -133.99 34.7 2.35 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.37 166.76 11.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 p -169.96 142.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.4 p -116.24 172.55 7.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.2 102.37 0.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.593 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 49' ' ' PHE . 3.5 p-10 -132.62 176.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.693 0.282 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 98.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -18.73 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.2 m 55.92 69.82 0.7 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG13 ' N ' ' A' ' 83' ' ' LEU . 1.4 tp -144.53 142.69 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 ' N ' HG13 ' A' ' 82' ' ' ILE . 9.3 tp -155.67 -35.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 mt 58.54 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.19 147.69 30.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.82 0.343 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -85.8 -166.15 1.44 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.13 -171.81 3.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.12 -29.98 14.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 t0 59.31 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.59 -81.97 0.64 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.93 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.5 169.98 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -83.47 -76.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.57 97.19 3.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -149.26 -176.29 5.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt 56.09 82.06 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.58 -168.32 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 81' ' ' CYS . 7.7 t -73.91 -5.51 41.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -94.43 139.36 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' HB2' ' HA2' ' A' ' 77' ' ' GLY . 6.9 mm-40 -143.51 123.58 13.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -89.05 35.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -74.77 -5.58 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.538 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.775 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 2.9 m 45.61 -165.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 122.52 0.328 . . . . 0.0 111.821 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.808 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 8.6 t -56.56 124.1 17.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' HD23 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -90.1 165.67 13.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.458 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 66' ' ' LEU . 6.5 p -153.51 168.85 24.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.221 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.0 -34.13 1.93 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.668 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.34 159.66 53.42 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -95.9 81.85 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.72 133.76 42.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 59' ' ' LEU . 1.7 pp -84.78 -23.64 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.122 0.487 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.8 t -171.38 150.75 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.448 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.29 142.75 39.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.761 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -111.78 179.02 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -128.39 69.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.76 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -117.63 167.28 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.251 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.76 -16.87 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.2 p -129.19 142.31 50.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.623 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -59.16 -29.51 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -42.79 54.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -35.62 73.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.403 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.601 ' SG ' HD13 ' A' ' 52' ' ' LEU . 3.3 m -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.59 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -74.46 -51.05 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.515 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.38 -29.21 69.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 40' ' ' LEU . 1.3 tm? -69.09 -57.65 5.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.584 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.621 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -64.75 -25.62 68.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.93 -27.46 69.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.033 0.444 . . . . 0.0 110.295 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.44 -14.5 59.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.516 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.14 152.57 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.25 17.38 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.344 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' HD13 ' A' ' 26' ' ' ILE . 6.5 mttp -128.01 7.59 6.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -91.0 144.61 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -153.44 -77.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.582 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -98.0 86.81 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.435 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 26.2 p90 -68.58 170.14 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.737 HG23 ' HB3' ' A' ' 76' ' ' SER . 17.2 m -160.93 100.62 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.603 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 34' ' ' SER . 7.9 tp -89.78 158.11 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.579 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -131.28 -159.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.04 -24.18 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.75 43.8 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -163.46 122.79 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.5 m -86.75 153.43 21.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -145.8 101.48 3.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -92.95 126.31 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.505 179.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.654 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 52.5 m-85 -113.92 152.16 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LYS . . . -103.58 -83.11 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.246 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -133.74 98.72 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.33 127.56 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.01 91.45 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' H ' ' H ' ' A' ' 66' ' ' LEU . . . -173.11 -4.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.725 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 60' ' ' PHE . 8.7 mp -59.87 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.569 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -133.45 148.89 70.64 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.246 179.265 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.48 164.57 35.23 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.311 2.007 . . . . 0.0 112.336 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -162.47 -24.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.23 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 19' ' ' SER . 0.4 OUTLIER -88.1 -172.42 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.031 -179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 72' ' ' ASP . 2.0 m -110.77 -157.49 0.62 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.44 ' H ' ' HB3' ' A' ' 71' ' ' SER . 0.5 OUTLIER -60.67 -19.2 57.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.103 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.08 -29.88 74.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.775 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . . . -93.82 164.83 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.7 126.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.737 ' HB3' HG23 ' A' ' 51' ' ' THR . 40.9 p -111.97 -178.62 3.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.034 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 15' ' ' GLN . . . -164.22 -171.5 30.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.445 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.23 175.25 9.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.79 28.23 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.21 36.63 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.403 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -108.85 23.55 14.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -31.45 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -178.44 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.16 -52.14 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -81.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.02 175.66 5.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.04 -176.87 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -140.61 -79.71 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.94 -80.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -27.51 12.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.0 104.88 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -79.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.9 m -111.92 171.53 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.03 103.14 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.84 24.47 12.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -10.18 17.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -96.03 -173.74 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.425 ' CD1' ' HA2' ' A' ' 77' ' ' GLY . 2.8 t80 -140.12 140.31 35.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' HB2' HG12 ' A' ' 75' ' ' VAL . 12.1 pt20 -144.73 -8.41 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB3' ' H ' ' A' ' 17' ' ' GLY . 10.5 t30 56.09 -93.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 16' ' ' ASN . . . 161.73 -39.9 0.39 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.759 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.695 ' HB ' ' HB2' ' A' ' 71' ' ' SER . 1.0 OUTLIER -128.41 176.98 6.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.789 0.328 . . . . 0.0 111.291 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 t -68.65 -163.16 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.691 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 51' ' ' THR . 0.3 OUTLIER -132.95 149.2 52.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.966 0.412 . . . . 0.0 111.409 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -155.51 174.99 14.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.77 -58.8 1.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' H ' ' HA ' ' A' ' 66' ' ' LEU . . . -84.93 -177.96 51.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.301 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -113.71 120.02 39.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.628 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -70.31 157.86 36.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 27' ' ' SER . 2.1 pp -97.11 -21.47 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.415 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.614 ' HB2' HD12 ' A' ' 26' ' ' ILE . 2.1 t -165.6 140.83 4.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -139.4 141.98 37.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' CYS . . . -113.8 174.9 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -122.85 56.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.696 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -103.55 168.11 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.273 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.02 -19.53 15.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.21 140.94 52.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.685 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.564 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -58.16 -28.22 64.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.813 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -44.8 55.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.482 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.39 78.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.376 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.726 ' HA ' HD23 ' A' ' 40' ' ' LEU . 2.8 m -68.92 -23.57 64.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.708 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.418 HE22 ' HB3' ' A' ' 80' ' ' ARG . 14.6 mm-40 -76.92 -41.15 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.466 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.38 -38.94 92.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD23 ' HA ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -74.12 -32.55 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 110.161 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -66.17 -32.36 73.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.335 179.547 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -38.89 91.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.494 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -75.72 -21.07 57.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.669 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.675 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 1.0 OUTLIER -92.16 106.97 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -22.76 64.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' CB ' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -86.41 7.81 24.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.675 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -98.38 153.06 18.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.43 -53.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.789 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -113.85 88.22 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.71 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 8.8 p90 -68.74 162.97 25.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.626 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 54.6 m -157.81 93.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 3.3 tp -86.5 152.26 22.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.758 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -122.74 -159.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 t -53.51 -22.22 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.62 40.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.569 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -162.04 118.39 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 3.6 m -82.17 152.51 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.826 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.586 ' HB3' ' CE1' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -144.91 98.04 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.023 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.718 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -93.37 121.17 34.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.415 179.654 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.0 m-85 -107.12 149.13 27.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.065 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.41 -76.01 0.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.78 174.26 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -82.12 86.41 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.55 -72.63 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -149.91 15.18 0.84 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' H ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -72.25 143.82 48.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -159.99 164.76 19.24 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.35 -177.86 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.668 2.245 . . . . 0.0 112.234 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.72 -83.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.111 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.623 ' H ' HG23 ' A' ' 69' ' ' THR . 0.1 OUTLIER -175.4 137.9 0.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -158.98 -170.02 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.33 25.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 74' ' ' ALA . . . 173.07 -7.33 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.379 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -79.16 126.06 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -115.05 149.12 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.599 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -147.99 141.27 25.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.732 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 14' ' ' TYR . . . -145.51 147.99 19.44 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.594 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -103.05 -6.55 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -154.1 89.97 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HD3' ' H ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -62.93 168.25 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.967 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 65.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 83' ' ' LEU . 2.7 tp -111.44 142.62 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' N ' HG13 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -135.49 131.58 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.89 147.13 35.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.26 112.63 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.74 0.305 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -69.04 174.27 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -63.13 122.99 17.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.78 -29.26 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 4.6 t70 -114.0 -83.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -147.59 -35.19 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.68 173.45 6.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.74 159.18 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -137.17 172.66 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -114.44 30.69 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.33 9.21 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.002 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.92 126.22 34.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 -0.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.963 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' HD1' ' HG3' ' A' ' 15' ' ' GLN . 1.4 t80 -111.09 156.52 21.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' HG3' ' HD1' ' A' ' 14' ' ' TYR . 70.4 mt-30 59.44 -90.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -57.42 101.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.8 -0.21 4.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.613 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t 66.17 145.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-O 120.778 0.323 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' HA ' ' A' ' 68' ' ' PRO . 0.7 OUTLIER -57.33 151.61 15.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.654 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -111.07 150.39 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.951 0.405 . . . . 0.0 111.234 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 t -162.78 170.67 17.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.087 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.74 -49.73 4.2 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA3' ' HB3' ' A' ' 66' ' ' LEU . . . -69.98 -177.74 20.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.31 97.26 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.763 0.316 . . . . 0.0 111.044 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -60.95 127.75 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.018 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 59' ' ' LEU . 1.8 pp -64.04 -21.35 28.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.197 0.522 . . . . 0.0 110.376 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 1.7 t -172.05 148.87 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.14 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -142.54 138.36 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.312 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -104.99 167.93 9.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -114.42 56.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.02 0.438 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . . . -107.54 153.16 23.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.322 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.83 -10.4 39.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.597 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.87 140.74 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.779 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.644 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.4 t -56.84 -30.56 63.91 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.22 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -46.75 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' ' HB1' ' A' ' 31' ' ' ALA . . . -73.49 -26.02 60.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.833 178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 16.4 m -76.67 -18.1 58.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.113 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -81.51 -49.82 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.924 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.47 -30.92 71.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -73.43 -48.35 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.875 179.167 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -60.98 -28.79 69.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.043 179.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.83 -23.57 65.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.79 16.94 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.96 142.77 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.051 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.84 -33.7 17.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -80.01 7.58 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.577 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -88.27 130.16 35.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.846 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -146.28 -57.34 0.29 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -112.62 85.52 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.716 ' HA ' ' HA ' ' A' ' 59' ' ' LEU . 13.0 p90 -70.11 162.29 28.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HE1' ' A' ' 60' ' ' PHE . 86.2 m -157.5 98.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.042 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HA ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -85.13 157.89 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.707 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -128.74 -160.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -22.49 11.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.63 39.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.617 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -166.81 119.75 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -84.36 160.43 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' THR . 1.5 m -156.53 110.48 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.716 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -95.82 134.16 39.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.673 179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.1 m-85 -121.78 134.43 54.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.06 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.64 -157.06 0.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.63 95.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.891 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -170.76 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.53 7.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.4 -13.54 54.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' HA3' ' A' ' 23' ' ' GLY . 0.5 OUTLIER -88.29 141.4 28.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 163.88 36.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 19' ' ' SER . 59.7 Cg_endo -71.26 -170.14 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.768 2.312 . . . . 0.0 112.372 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -164.16 -55.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' HG23 ' A' ' 69' ' ' THR . 1.3 pttt -166.49 162.46 16.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.43 84.53 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.76 10.43 36.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.07 14.44 0.98 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.483 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 53' ' ' ALA . . . -95.57 142.72 27.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.169 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG23 HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -124.05 163.73 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.051 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.76 168.01 28.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.15 139.18 6.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -146.41 157.13 43.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.87 -29.6 14.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -130.92 131.04 44.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.1 m -98.81 -54.1 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.71 110.63 18.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.089 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.31 136.35 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 152.88 35.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -130.59 16.22 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.935 179.996 . . . . . . . . 0 0 . 1 stop_ save_